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CHEBI:32616 - azepane
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ChEBI Name
azepane
ChEBI ID
CHEBI:32616
Definition
An azacycloalkane that is cycloheptane in which one of the carbon atoms is replaced by a nitrogen atom.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C6H13N
Net Charge
0
Average Mass
99.17416
Monoisotopic Mass
99.10480
InChI
InChI=1S/C6H13N/c1-2-4-6-7-5-3-1/h7H,1-6H2
InChIKey
ZSIQJIWKELUFRJ-UHFFFAOYSA-N
SMILES
C1CCCNCC1
ChEBI Ontology
Outgoing
azepane (
CHEBI:32616
)
is a
azacycloalkane (
CHEBI:37949
)
azepane (
CHEBI:32616
)
is a
azepanes (
CHEBI:46986
)
azepane (
CHEBI:32616
)
is a
saturated organic heteromonocyclic parent (
CHEBI:36389
)
IUPAC Name
azepane
Synonyms
Sources
azacycloheptane
ChEBI
hexahydro-1
H
-azepine
NIST Chemistry WebBook
hexahydroazepine
ChemIDplus
hexamethyleneimine
NIST Chemistry WebBook
hexamethylenimine
NIST Chemistry WebBook
Manual Xref
Database
Azepane
Wikipedia
View more database links
Registry Numbers
Types
Sources
1084
Beilstein Registry Number
Beilstein
1084
Reaxys Registry Number
Reaxys
111-49-9
CAS Registry Number
NIST Chemistry WebBook
111-49-9
CAS Registry Number
ChemIDplus
130604
Gmelin Registry Number
Gmelin
Citation
Type
Source
24689521
PubMed citation
Europe PMC
Last Modified
28 April 2014