N-Methylaniline

Modify Date: 2026-08-01 11:03:40

N-Methylaniline Structure
N-Methylaniline structure
 Common Name N-Methylaniline
CAS Number 100-61-8 Molecular Weight 107.153
Density 1.0±0.1 g/cm3 Boiling Point 196.2 °C at 760 mmHg
Molecular Formula C7H9N Melting Point −57 °C(lit.)
MSDS Chinese USA Flash Point 78.9 °C
Symbol GHS06 GHS08 GHS09
GHS06, GHS08, GHS09		 Signal Word Danger

 Names

This table lists Chinese names, IUPAC names and various aliases of this chemical substance.

Name N-methylaniline
Synonym More Synonyms

 Chemical & Physical Properties

This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.

Density 1.0±0.1 g/cm3
Boiling Point 196.2 °C at 760 mmHg
Melting Point −57 °C(lit.)
Molecular Formula C7H9N
Molecular Weight 107.153
Flash Point 78.9 °C
Exact Mass 107.073502
PSA 12.03000
LogP 1.60
Vapour Pressure 0.4±0.3 mmHg at 25°C
Index of Refraction 1.573
InChIKey AFBPFSWMIHJQDM-UHFFFAOYSA-N
SMILES CNc1ccccc1
Stability Stability Combustible. Incompatible with strong oxidizing agents. Discolours upon exposure to air.
Water Solubility 30 g/L

 MSDS

This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.

 Toxicological Information

This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.

CHEMICAL IDENTIFICATION

RTECS NUMBER :
BY4550000
CHEMICAL NAME :
Aniline, N-methyl-
CAS REGISTRY NUMBER :
100-61-8
LAST UPDATED :
199712
DATA ITEMS CITED :
30
MOLECULAR FORMULA :
C7-H9-N
MOLECULAR WEIGHT :
107.17
WISWESSER LINE NOTATION :
1MR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Mammal - cat
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,1,1949
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
280 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,1,1949
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
24 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Lungs, Thorax, or Respiration - cyanosis
REFERENCE :
JIHTAB Journal of Industrial Hygiene and Toxicology. (Cambridge, MA) V.18-31, 1936-49. For publisher information, see AEHLAU. Volume(issue)/page/year: 31,1,1949
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
XPHBAO U.S. Public Health Service, Public Health Bulletin. (Washington, DC) Volume(issue)/page/year: 271,16,1941
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1200 mg/kg
TOXIC EFFECTS :
Peripheral Nerve and Sensation - flaccid paralysis without anesthesia (usually neuromuscular blockage) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
XPHBAO U.S. Public Health Service, Public Health Bulletin. (Washington, DC) Volume(issue)/page/year: 271,16,1941 ** OTHER MULTIPLE DOSE TOXICITY DATA **
TYPE OF TEST :
TCLo - Lowest published toxic concentration
ROUTE OF EXPOSURE :
Inhalation
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
300 ug/m3/24H/14W-C
REFERENCE :
GISAAA Gigiena i Sanitariya. For English translation, see HYSAAV. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.1- 1936- Volume(issue)/page/year: 34(3),7,1969 *** REVIEWS *** ACGIH TLV-TWA 2.2 mg/m3 (0.5 ppm) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: TLV/BEI,1997 *** U.S. STANDARDS AND REGULATIONS *** MSHA STANDARD-air:TWA 2 ppm (9 mg/m3) (skin) DTLVS* The Threshold Limit Values (TLVs) and Biological Exposure Indices (BEIs) booklet issues by American Conference of Governmental Industrial Hygienists (ACGIH), Cincinnati, OH, 1996 Volume(issue)/page/year: 3,174,1971 OSHA PEL (Gen Indu):8H TWA 2 ppm (9 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1910.1000,1994 OSHA PEL (Construc):8H TWA 2 ppm (9 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1926.55,1994 OSHA PEL (Shipyard):8H TWA 2 ppm (9 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 29,1915.1000,1993 OSHA PEL (Fed Cont):8H TWA 2 ppm (9 mg/m3) (skin) CFRGBR Code of Federal Regulations. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) Volume(issue)/page/year: 41,50-204.50,1994 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-ARAB Republic of Egypt:TWA 2 ppm (9 mg/m3);Skin JAN 1993 OEL-AUSTRALIA:TWA 0.5 ppm (2 mg/m3);Skin JAN 1993 OEL-BELGIUM:TWA 0.5 ppm (2.2 mg/m3);Skin JAN 1993 OEL-DENMARK:TWA 0.5 ppm (2.25 mg/m3);Skin JAN 1993 OEL-FRANCE:TWA 0.5 ppm (2 mg/m3);Skin JAN 1993 OEL-GERMANY:TWA 0.5 ppm (2 mg/m3);Skin JAN 1993 OEL-THE NETHERLANDS:TWA 0.5 ppm (2 mg/m3) JAN 1993 OEL-SWITZERLAND:TWA 0.5 ppm (2.2 mg/m3);STEL 1.0 ppm;Skin JAN 1993 OEL-TURKEY:TWA 2 ppm (9 mg/m3);Skin JAN 1993 OEL-UNITED KINGDOM:TWA 0.5 ppm (2 mg/m3);Skin JAN 1993 OEL IN BULGARIA, COLOMBIA, JORDAN, KOREA check ACGIH TLV OEL IN NEW ZEALAND, SINGAPORE, VIETNAM check ACGIH TLV *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH RECOMMENDED EXPOSURE LEVEL (REL) : NIOSH REL TO MONOMETHYL ANILINE-air:10H TWA 0.5 ppm (Sk) REFERENCE : NIOSH* National Institute for Occupational Safety and Health, U.S. Dept. of Health, Education, and Welfare, Reports and Memoranda. Volume(issue)/page/year: DHHS #92-100,1992 NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3740 No. of Facilities: 82 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 82 (estimated)

 Safety Information

This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.

Symbol GHS06 GHS08 GHS09
GHS06, GHS08, GHS09
Signal Word Danger
Hazard Statements H301 + H311 + H331-H373-H410
Precautionary Statements P261-P273-P280-P301 + P310-P311-P501
Personal Protective Equipment Eyeshields;Faceshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes T:Toxic
Risk Phrases R23/24/25;R33;R50/53
Safety Phrases S28-S36/37-S45-S60-S61-S28A
RIDADR UN 2294 6.1/PG 3
WGK Germany 3
RTECS BY4550000
Packaging Group III
Hazard Class 6.1
HS Code 2921420090

 Synthetic Route

This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.

 Customs

This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.

HS Code 2921420090
Summary HS:2921420090 aniline derivatives and their salts VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Articles32

More Articles

This table lists relevant public references with title, journal and publication metadata for this compound.

Convenient QSAR model for predicting the complexation of structurally diverse compounds with β-cyclodextrins

Bioorg. Med. Chem. 17 , 896-904, (2009)

This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoret...

Calculating virtual log P in the alkane/water system (log P(N)(alk)) and its derived parameters deltalog P(N)(oct-alk) and log D(pH)(alk).

J. Med. Chem. 48 , 3269-79, (2005)

Growing interest in the use of both the logarithm of the partition coefficient of the neutral species in the alkane/water system (log P(N)(alk)) and the difference between log P(N)(oct) (the logarithm...

Redox inactive metal ion triggered N-dealkylation by an iron catalyst with dioxygen activation: a lesson from lipoxygenases.

Dalton Trans. 44 , 9847-59, (2015)

Utilization of dioxygen as the terminal oxidant at ambient temperature is always a challenge in redox chemistry, because it is hard to oxidize a stable redox metal ion like iron(III) to its high oxida...

 N-MethylanilineBioassay

View more

This table contains target information, in‑vitro & in‑vivo assay data for this compound.

Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
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 Synonyms

This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.

N-methyl-aniline
N-Methylaniline
N-methylphenylamine
N-methyl-N-phenylamine
N-Phenylmethylamine
MFCD00008283
Methylaniline
Monomethylaniline
EINECS 202-870-9
N-methyl-aminobenzene
N-Methylbenzenamine
Methylphenylamine
N-Monomethylaniline

 N-Methylaniline | FAQ

This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.

Q: What is the polar surface area (PSA) of N-methylaniline?
A: Polar surface area (PSA) of N-methylaniline is 12.03000.
Q: What is the CAS number of N-methylaniline?
A: CAS number of N-methylaniline is 100-61-8.
Q: What are the downstream products of N-methylaniline?
A: Related downstream products(CAS) of N-methylaniline: 107089-76-9;106003-69-4;614-00-6;554-68-7;105577-05-7;10591-84-1;111928-33-7;10545-45-6;121-69-7.
Q: How is the water solubility of N-methylaniline?
A: Water solubility of N-methylaniline: 30 g/L.
Q: What is the boiling point of N-methylaniline?
A: Boiling point of N-methylaniline is 196.2 °C at 760 mmHg.
Q: What is the molecular weight of N-methylaniline?
A: Molecular weight of N-methylaniline is 107.153.
Q: What is the safety information for N-methylaniline?
A: Safety information for N-methylaniline: S28-S36/37-S45-S60-S61-S28A.
Q: What are the upstream materials of N-methylaniline?
A: Related upstream materials(CAS) of N-methylaniline: 618-40-6;98-95-3;773837-37-9;121-69-7;616-38-6;50-00-0;1934-92-5;681439-95-2;75-59-2.
Q: What is the InChIKey of N-methylaniline?
A: InChIKey of N-methylaniline is AFBPFSWMIHJQDM-UHFFFAOYSA-N.
Q: What is the SMILES notation of N-methylaniline?
A: SMILES notation of N-methylaniline is CNc1ccccc1.

 N-Methylanilinefactory

This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.

Shanghai Nianxing Industrial Co., Ltd
Dayang Chem (Hangzhou) Co., Ltd.
Henan Tianfu Chemical Co., Ltd.
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Chemsrc provides N-Methylaniline(CAS#:100-61-8) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of N-Methylaniline are included as well.>> amp version: N-Methylaniline

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