CAS 80053-54-9 2-Ethylazepane (HCID 4335932)

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Basic information

CAS: 80053-54-9
Standard SMILES: CCC1CCCCCN1
InChIKey: ASNQKEGSBHCDHK-UHFFFAOYSA-N
Molecular formula: C8H17N
Average molar mass: 127.23 g/mol
Monoisotopic mass: 127.13609954

Names & identifiers

Preferred name: 2-Ethylazepane
IUPAC: 2-ethylazepane
English name: 2-Ethylhexahydro-1H-azepine
Molecular formula: C8H17N
Molecular weight: 127.23

Names & synonyms

2-ethylazepane80053-54-9DTXSID70402052RefChem:471899DTXCID70352907102-487-62-ETHYLHEXAHYDRO-1H-AZEPINESCHEMBL83802SCHEMBL1547627SCHEMBL4446777ASNQKEGSBHCDHK-UHFFFAOYSA-NFDA05354

Show more names

1H-Azepine, 2-ethylhexahydro-

AKOS008152564EN300-82666Z992736884

Database identifiers

CAS: 80053-54-9
PubChem CID: 4335932
DTXSID: DTXSID70402052
EC Number: 102-487-6
Nikkaji: J2.105.906D

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 71

Physicochemical properties

Boiling point: 170.8 · 170.8±8.0 °C(Predicted)
Density: 0.806 · 0.806±0.06 g/cm3(Predicted)
pka: 11.3 · 11.30±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, 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.