Azepane

Modify Date: 2026-07-07 10:34:39

Azepane structure	Common Name	Azepane
	CAS Number	111-49-9	Molecular Weight	99.174
	Density	0.8±0.1 g/cm3	Boiling Point	142.7±8.0 °C at 760 mmHg
	Molecular Formula	C₆H₁₃N	Melting Point	-37°C
	MSDS	N/A	Flash Point	18.3±0.0 °C

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

Name	azepane
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	0.8±0.1 g/cm3
Boiling Point	142.7±8.0 °C at 760 mmHg
Melting Point	-37°C
Molecular Formula	C₆H₁₃N
Molecular Weight	99.174
Flash Point	18.3±0.0 °C
Exact Mass	99.104797
PSA	12.03000
LogP	1.50
Vapour Pressure	5.5±0.3 mmHg at 25°C
Index of Refraction	1.429
InChIKey	ZSIQJIWKELUFRJ-UHFFFAOYSA-N
SMILES	C1CCCNCC1
Water Solubility	soluble

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

Azepane MSDS(Chinese)

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

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CM3150000

CHEMICAL NAME :: 1H-Azepine, hexahydro-

CAS REGISTRY NUMBER :: 111-49-9

BEILSTEIN REFERENCE NO. :: 0001084

LAST UPDATED :: 199806

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C6-H13-N

MOLECULAR WEIGHT :: 99.20

WISWESSER LINE NOTATION :: T7MTJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 20700 ug/kg

TOXIC EFFECTS :: Behavioral - food intake (animal) Lungs, Thorax, or Respiration - pulmonary emboli Liver - other changes

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534842

TYPE OF TEST :: LCLo - Lowest published lethal concentration

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 33300 mg/m3/30M

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - pulmonary emboli

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0534842

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 10800 mg/m3/2H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85GMAT "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982 Volume(issue)/page/year: -,74,1982

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 1260 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: OTS0539976

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Substances. For English translation, see TNICS*. (Izdatel'stvo Meditsina, Moscow, USSR) No.1- 1961- Volume(issue)/page/year: 10,25,1968 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-RUSSIA:STEL 0.5 mg/m3;Skin JAN 1993

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

Hazard Codes	F:Flammable;T+:Verytoxic;
Risk Phrases	R11;R20;R28;R34
Safety Phrases	S26-S36/37/39-S45-S28A-S16-S1
RIDADR	UN 2493 3/PG 2
WGK Germany	3
RTECS	CM3150000
Packaging Group	II
Hazard Class	3
HS Code	2933990090

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 10
CAS#:105-60-2 Caprolactam CAS#:2432-74-8 6-AMINOHEXANENITRILE CAS#:124-09-4 1,6-Hexanediamine CAS#:629-11-8 Hexan-1,6-diol
CAS#:124-04-9 Adipic acid CAS#:111-69-3 Adiponitrile CAS#:74-89-5 methylamine CAS#:2525-16-8 7-METHOXY-3,4,5...
CAS#:4048-33-3 6-Aminohexan-1-ol CAS#:111-27-3 1-Hexanol
DownStream 10
CAS#:109286-01-3 4-(1-Azepanylsu... CAS#:1119451-34-1 1-(4-chloro-1,2... CAS#:54714-50-0 1H-Azepine-1-ac... CAS#:25114-81-2 Hexahydro-1H-az...
CAS#:104502-18-3 2-(perhydroazep... CAS#:104502-17-2 3-cyanoperhydro... CAS#:32895-16-2 n-formylhexamet... CAS#:3466-82-8 2-Phenyl-azepane
CAS#:4048-33-3 6-Aminohexan-1-ol CAS#:14992-07-5 1H-Azepine,1-[[...

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

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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

Name: pKa (acid-base dissociation constant) as determined by Morgenthaler ref: ChemMedChem ...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2449008

Name: Cytochrome P450 Family 1 Subfamily A Member 2 (CYP1A2) small molecule antagonists: lu...
Source: 824
External Id: CYP273

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

Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes: qHTS ...
Source: 824
Target: N/A
External Id: P53MS837

Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898

Name: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
Source: NCGC
External Id: HERG01

Total 213, Current Page 1 of 22

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

Hexahydroazepine

Hexamethyleneimine

Perhydroazepine

Homopiperidine

tetrahydroazepine

HEXAMETHYLENIMINE

Azacycloheptane

EINECS 203-875-9

Hexahydro-1H-azepine

Azepane

1H-Azepine,hexahydro

MFCD00006934

hexamethylene amine

3,4,5,6-Tetrahydroazepine

perhydro-1H-azepine

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

Q: What is the English name of azepane?

A: The English name of azepane is azepane.

Q: What is the polar surface area (PSA) of azepane?

A: Polar surface area (PSA) of azepane is 12.03000.

Q: What is the molecular weight of azepane?

A: Molecular weight of azepane is 99.174.

Q: What English synonyms does azepane have?

A: English synonyms of azepane: Hexahydroazepine, Hexamethyleneimine, Perhydroazepine, Homopiperidine, tetrahydroazepine, HEXAMETHYLENIMINE, Azacycloheptane, EINECS 203-875-9, Hexahydro-1H-azepine, Azepane, 1H-Azepine,hexahydro, MFCD00006934, hexamethylene amine, 3,4,5,6-Tetrahydroazepine, perhydro-1H-azepine.

Q: What are the upstream materials of azepane?

A: Related upstream materials(CAS) of azepane: 105-60-2;2432-74-8;124-09-4;629-11-8;124-04-9;111-69-3;74-89-5;2525-16-8;4048-33-3;111-27-3.

Q: What is the safety information for azepane?

A: Safety information for azepane: S26-S36/37/39-S45-S28A-S16-S1.

Q: What is the melting point of azepane?

A: Melting point of azepane is -37°C.

Q: How is the water solubility of azepane?

A: Water solubility of azepane: soluble.

Q: What is the LogP of azepane?

A: LogP of azepane is 1.50.

Q: What is the InChIKey of azepane?

A: InChIKey of azepane is ZSIQJIWKELUFRJ-UHFFFAOYSA-N.

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.

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Azepane
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Hexamethyleneimine
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Henan Tianfu Chemical Co., Ltd.
China
Product Name: Hexamethyleneimine
Price: $Inquiry/1kg $Inquiry/25kg $Inquiry/1000kg $Inquiry/10ton
Purity: 99.0%
Delivery: Inquiry
Contact: Anson
Email: info@tianfuchem.com

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Azepane

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The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.