Cycloheptanamine, 1-phenyl-

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Basic information

CAS: 59397-23-8
Standard SMILES: NC1(c2ccccc2)CCCCCC1
InChIKey: LTWBQSVETWWOFJ-UHFFFAOYSA-N
Molecular formula: C13H19N
Average molar mass: 189.3 g/mol
Monoisotopic mass: 189.15174961

Names & identifiers

Preferred name: Cycloheptanamine, 1-phenyl-
IUPAC: 1-phenylcycloheptan-1-amine

Names & synonyms

Cycloheptanamine, 1-phenyl-59397-23-8DTXSID60314019RefChem:335058DTXCID102651431-phenylcycloheptan-1-amine1-phenylcycloheptanamineNSC279902CHEMBL253135SCHEMBL7741012TQP1678NSC-279902

Show more names

DS-000388

Database identifiers

CAS: 59397-23-8
PubChem CID: 322435
DTXSID: DTXSID60314019
ChEMBL: CHEMBL253135
Nikkaji: J294.315H

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 162

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Compound notes

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