N,N-Diethylaniline
N,N-Diethylaniline structure
|
Common Name | N,N-Diethylaniline | ||
|---|---|---|---|---|
| CAS Number | 91-66-7 | Molecular Weight | 149.233 | |
| Density | 0.9±0.1 g/cm3 | Boiling Point | 213.5±9.0 °C at 760 mmHg | |
| Molecular Formula | C10H15N | Melting Point | -38 °C | |
| MSDS | Chinese USA | Flash Point | 97.8±0.0 °C | |
| Symbol |
GHS06, GHS08, GHS09 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | N,N-Diethylaniline |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 0.9±0.1 g/cm3 |
|---|---|
| Boiling Point | 213.5±9.0 °C at 760 mmHg |
| Melting Point | -38 °C |
| Molecular Formula | C10H15N |
| Molecular Weight | 149.233 |
| Flash Point | 97.8±0.0 °C |
| Exact Mass | 149.120453 |
| PSA | 3.24000 |
| LogP | 3.39 |
| Vapour density | 5.2 (vs air) |
| Vapour Pressure | 0.2±0.4 mmHg at 25°C |
| Index of Refraction | 1.533 |
| InChIKey | GGSUCNLOZRCGPQ-UHFFFAOYSA-N |
| SMILES | CCN(CC)c1ccccc1 |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents, strong acids. |
| Water Solubility | 14 g/L (12 ºC) |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS06, GHS08, GHS09 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H301 + H311 + H331-H373-H411 |
| Precautionary Statements | P261-P273-P280-P301 + P310-P311 |
| 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;N:Dangerousfortheenvironment; |
| Risk Phrases | R23/24/25;R33;R51/53 |
| Safety Phrases | S28-S37-S45-S61-S28A |
| RIDADR | UN 2432 6.1/PG 3 |
| WGK Germany | 2 |
| RTECS | BX3400000 |
| Packaging Group | III |
| Hazard Class | 6.1 |
| HS Code | 2921420090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
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CAS#:3698-83-7This 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% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Polyoxometalates--potent and selective ecto-nucleotidase inhibitors.
Biochem. Pharmacol. 93(2) , 171-81, (2015) Polyoxometalates (POMs) are inorganic cluster metal complexes that possess versatile biological activities, including antibacterial, anticancer, antidiabetic, and antiviral effects. Their mechanisms o... |
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cIEF for rapid pKa determination of small molecules: a proof of concept.
Eur. J. Pharm. Sci. 63 , 14-21, (2014) A capillary isoelectric focusing (cIEF) method was developed for the determination of the ionization constants (pKa) of small molecules. Two approaches used to decrease the electroosmotic flow (EOF) w... |
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Exploring the enantioseparation of amino-naphthol analogues by supercritical fluid chromatography.
J. Chromatogr. A. 1387 , 123-33, (2015) The direct separation of the enantiomers of 1-(α-aminoarylmethyl)-2-naphthol, 1-(α-aminoalkyl)-2-naphthol, 2-(α-aminoarylmethyl)-1-naphthol analogues and 2-(1-amino-2-methylpropyl)-1-naphthol) was inv... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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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
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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
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Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273
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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
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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
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Name: p53 small molecule agonists, cell-based qHTS assay: qHTS cell viability counter scree...
Source: 824
Target: N/A
External Id: P53600
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: qHTS ce...
Source: 824
Target: N/A
External Id: P53MS958
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Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes: Summary
Source: 824
External Id: P53MS482
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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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 202-088-8 |
| Aniline,N,N-diethyl |
| N,N-diethylbenzeneamine |
| 2N2&R |
| N,N-Diethylaniline |
| N,N-Diethylanilin |
| MFCD00009042 |
| N,N-Diethylbenzenamine |
| Diethylphenylamine |
| N,N-diethyl-aniline |
| Benzenamine,N,N-diethyl |
| Phenyldiethylamine |
| 4-N,N-diethylaminobenzene |
| Diethylaniline |
| Diaethylanilin |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does N,N-Diethylaniline have? |
| A: English synonyms of N,N-Diethylaniline: EINECS 202-088-8, Aniline,N,N-diethyl, N,N-diethylbenzeneamine, 2N2&R, N,N-Diethylaniline, N,N-Diethylanilin, MFCD00009042, N,N-Diethylbenzenamine, Diethylphenylamine, N,N-diethyl-aniline, Benzenamine,N,N-diethyl, Phenyldiethylamine, 4-N,N-diethylaminobenzene, Diethylaniline, Diaethylanilin. |
| Q: What is the molecular weight of N,N-Diethylaniline? |
| A: Molecular weight of N,N-Diethylaniline is 149.233. |
| Q: What are the downstream products of N,N-Diethylaniline? |
| A: Related downstream products(CAS) of N,N-Diethylaniline: 104689-75-0;111928-35-9;110102-65-3;105443-02-5;5520-66-1;4302-52-7;5429-28-7;40925-70-0;23999-64-6;3698-83-7. |
| Q: What is the molecular formula of N,N-Diethylaniline? |
| A: Molecular formula of N,N-Diethylaniline is C10H15N. |
| Q: What is the boiling point of N,N-Diethylaniline? |
| A: Boiling point of N,N-Diethylaniline is 213.5±9.0 °C at 760 mmHg. |
| Q: What is the melting point of N,N-Diethylaniline? |
| A: Melting point of N,N-Diethylaniline is -38 °C. |
| Q: What is the polar surface area (PSA) of N,N-Diethylaniline? |
| A: Polar surface area (PSA) of N,N-Diethylaniline is 3.24000. |
| Q: What is the SMILES notation of N,N-Diethylaniline? |
| A: SMILES notation of N,N-Diethylaniline is CCN(CC)c1ccccc1. |
| Q: What is the safety information for N,N-Diethylaniline? |
| A: Safety information for N,N-Diethylaniline: S28-S37-S45-S61-S28A. |
| Q: How is the water solubility of N,N-Diethylaniline? |
| A: Water solubility of N,N-Diethylaniline: 14 g/L (12 ºC). |
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. |