1-Hexadecylazepan-2-one

HCID 189405

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Basic information

CAS: 116489-97-5
Standard SMILES: CCCCCCCCCCCCCCCCN1CCCCCC1=O
InChIKey: LYQYWEFFQIZYDP-UHFFFAOYSA-N
Molecular formula: C22H43NO
Average molar mass: 337.6 g/mol
Monoisotopic mass: 337.334465

Names & identifiers

Preferred name: 1-Hexadecylazepan-2-one
IUPAC: 1-hexadecylazepan-2-one

Names & synonyms

1-hexadecylazepan-2-one116489-97-52H-Azepin-2-one, 1-hexadecylhexahydro-NSC2454231UJ6PG5MJN-n-Hexadecylazacycloheptan-2-oneNSC-24542NSC 245421-Hexadecyl-2-azepanoneUNII-31UJ6PG5MJSCHEMBL5858660DTXSID30151397

Show more names

STL321893AKOS0221057931-HEXADECYLAZACYCLOHEPTAN-2-ONE1-HEXADECYLHEXAHYDRO-2H-AZEPIN-2-ONE

Database identifiers

CAS: 116489-97-5
PubChem CID: 189405
DTXSID: DTXSID30151397
UNII: 31UJ6PG5MJ
Nikkaji: J481.382K

Properties

Computed structural properties

XLogP: 8
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 15
Heavy atoms: 24
Formal charge: 0
Complexity: 290

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Compound notes

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