Basic information
- CAS
69976-75-6- Standard SMILES
CC(=O)c1cc(C)cc(C)c1N- InChIKey
NPBAJZVIRSZENG-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 1-(2-Amino-3,5-dimethylphenyl)ethan-1-one
- IUPAC
- 1-(2-amino-3,5-dimethylphenyl)ethanone
- English name
- Ethanone, 1-(2-amino-3,5-dimethylphenyl)- (9CI)
- Molecular formula
- C10H13NO
- Molecular weight
- 163.21632
Names & synonyms
69976-75-61-(2-AMINO-3,5-DIMETHYLPHENYL)ETHAN-1-ONEDTXSID60442003RefChem:223120DTXCID303928241-(2-amino-3,5-dimethylphenyl)ethanone2'-amino-3',5'-dimethylacetophenone1-(2-amino-3,5-dimethyl-phenyl)ethanoneSCHEMBL2771019NPBAJZVIRSZENG-UHFFFAOYSA-NAKOS006306436SB75715
Show more names
1-(2-amino-3,5-dimethylphenyl)-EthanoneEthanone,1-(2-amino-3,5-dimethylphenyl)-Ethanone, 1-(2-amino-3,5-dimethylphenyl)- (9CI)
CS-0434521Ethanone, 1-(2-amino-3,5-dimethylphenyl)- (9ci);ethanone,1-(2-amino-3,5-dimethylphenyl)-
Database identifiers
- CAS
69976-75-6- PubChem CID
- 10583136
- DTXSID
DTXSID60442003
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Chemistry & industry
Suppliers3 total
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京英士奇生物科技有限公司18727012071 · [email protected]
Related reactions
10 records
Compound notes
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