3-Benzylquinoline

HCID 142128

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Basic information

CAS: 37045-16-2
Standard SMILES: c1ccc(Cc2cnc3ccccc3c2)cc1
InChIKey: QVMSGEZMPYTLKN-UHFFFAOYSA-N
Molecular formula: C16H13N
Average molar mass: 219.28 g/mol
Monoisotopic mass: 219.10479942

Names & identifiers

Preferred name: 3-Benzylquinoline
IUPAC: 3-benzylquinoline

Names & synonyms

3-Benzylquinoline37045-16-2DTXSID70190548RefChem:93079DTXCID10113039QVMSGEZMPYTLKN-UHFFFAOYSA-NSCHEMBL1927234SCHEMBL6933468SCHEMBL8202833SCHEMBL9870873DB-424602

Database identifiers

CAS: 37045-16-2
PubChem CID: 142128
DTXSID: DTXSID70190548
Nikkaji: J89.146K

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 12.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 17
Formal charge: 0
Complexity: 232

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