Basic information
- CAS
61997-81-7- Standard SMILES
CC1(C)CC(=O)C=C(Nc2cccc(N)c2)C1- InChIKey
AWHGVBLKVBWMMM-UHFFFAOYSA-N- Molecular formula
- C14H18N2O
- Average molar mass
- 230.31 g/mol
- Monoisotopic mass
- 230.1419132
Names & identifiers
- Preferred name
- 3-((3-Aminophenyl)amino)-5,5-dimethylcyclohex-2-EN-1-one
- IUPAC
- 3-(3-aminoanilino)-5,5-dimethylcyclohex-2-en-1-one
- English name
- 3-((3-AMINOPHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE
- Molecular formula
- C14H18N2O
- Molecular weight
- 230.31
Names & synonyms
61997-81-73-((3-AMINOPHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE3-(3-aminoanilino)-5,5-dimethylcyclohex-2-en-1-one3-[(3-aminophenyl)amino]-5,5-dimethylcyclohex-2-en-1-oneMFCD00129312LCA99781AKOS022170561MS-99623-(3-aminoanilino)-5,5-dimethyl-cyclohex-2-en-1-one3-[(3-Aminophenyl)amino]-5,5-dimethyl-2-cyclohexen-1-one2-Cyclohexen-1-one, 3-[(3-aminophenyl)amino]-5,5-dimethyl-
Database identifiers
- CAS
61997-81-7- PubChem CID
- 3309407
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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