3,5,7-Trimethyl-1,3-dihydro-2H-azepin-2-one

HCID 282174

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Basic information

CAS: 936-85-6
Standard SMILES: CC1=CC(C)C(=O)NC(C)=C1
InChIKey: YJAFQWJBXHPEBM-UHFFFAOYSA-N
Molecular formula: C9H13NO
Average molar mass: 151.21 g/mol
Monoisotopic mass: 151.09971404

Names & identifiers

Preferred name: 3,5,7-Trimethyl-1,3-dihydro-2H-azepin-2-one
IUPAC: 3,5,7-trimethyl-1,3-dihydroazepin-2-one
English name: 2H-Azepin-2-one, 1,3-dihydro-3,5,7-trimethyl-
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

3,5,7-trimethyl-1,3-dihydro-2H-azepin-2-one936-85-6DTXSID10300200RefChem:271406DTXCID20251335NSC135354AKOS024328974NSC-1353543,5,7-trimethyl-1,3-dihydro-azepin-2-one2,3-dihydro-3,5,7-trimethyl-1h-azepin-2-one2H-Azepin-2-one, 1,3-dihydro-3,5,7-trimethyl-

Database identifiers

CAS: 936-85-6
PubChem CID: 282174
DTXSID: DTXSID10300200

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 29.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 238

Chemistry & industry

Suppliers1 total

西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]

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