1-(Azepan-1-yl)ethan-1-one

HCID 22059

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Basic information

CAS: 5809-41-6
Standard SMILES: CC(=O)N1CCCCCC1
InChIKey: VNEWJRXBYULGIA-UHFFFAOYSA-N
Molecular formula: C8H15NO
Average molar mass: 141.21 g/mol
Monoisotopic mass: 141.1153641

Names & identifiers

Preferred name: 1-(Azepan-1-yl)ethan-1-one
IUPAC: 1-(azepan-1-yl)ethanone
English name: 1-Acetylhexahydro-1H-azepine
Molecular formula: C8H15NO
Molecular weight: 141.21

Names & synonyms

1-(azepan-1-yl)ethan-1-oneRefChem:427015894-481-15809-41-61-ACETYLHEXAHYDRO-1H-AZEPINE1-(azepan-1-yl)ethanoneN-Acetylhexamethylenimine1-Acetylhexahydroazepine1H-Azepine, 1-acetylhexahydro-NSC-54157N-acetylhexahydroazepine1-Acetylazepane

Show more names

Ethanone, 1-(hexahydro-1H-azepin-1-yl)-

NSC541571-Acetylazepane #acetylazaperhydroepine1-azepan-1-yl-ethanoneN-AcetylhexamethyleneimineF8L3DMH8MLSCHEMBL60330SCHEMBL770691

Database identifiers

CAS: 5809-41-6
PubChem CID: 22059
DTXSID: DTXSID30973672
UNII: F8L3DMH8ML
EC Number: 894-481-1
Nikkaji: J110.580I

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 114

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.