Benzenemethanamine, N-heptyl-

HCID 485396

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Basic information

CAS: 5730-02-9
Standard SMILES: CCCCCCCNCc1ccccc1
InChIKey: ONCCNQMCFOIMAZ-UHFFFAOYSA-N
Molecular formula: C14H23N
Average molar mass: 205.34 g/mol
Monoisotopic mass: 205.18304974

Names & identifiers

Preferred name: Benzenemethanamine, N-heptyl-
IUPAC: N-benzylheptan-1-amine

Names & synonyms

Benzenemethanamine, N-heptyl-5730-02-9DTXSID30205920RefChem:324841DTXCID60128411N-benzylheptan-1-amineN-benzylheptylamineSCHEMBL253468SCHEMBL9204871CHEMBL1178157AKOS002615341

Database identifiers

CAS: 5730-02-9
PubChem CID: 485396
DTXSID: DTXSID30205920
ChEMBL: CHEMBL1178157
Nikkaji: J495.952C

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 8
Heavy atoms: 15
Formal charge: 0
Complexity: 127

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