Basic information
- CAS
95249-12-0- Standard SMILES
CC(C)C(=O)c1ccc(N)cc1- InChIKey
PFARCDAVMVFNMN-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 1-(4-Aminophenyl)-2-methylpropan-1-one
- IUPAC
- 1-(4-aminophenyl)-2-methylpropan-1-one
- English name
- 1-Propanone, 1-(4-aminophenyl)-2-methyl-
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
1-(4-aminophenyl)-2-methylpropan-1-one95249-12-0DTXSID00408845RefChem:224794DTXCID10359697838-607-5MFCD034165741-(4-aminophenyl)-2-methyl-1-propanone1-Propanone, 1-(4-aminophenyl)-2-methyl-SCHEMBL2449415PFARCDAVMVFNMN-UHFFFAOYSA-NEBC-14847
Show more names
AKOS013464440SB76008AS-95053SY1975701-(4-Amino-phenyl)-2-methyl-propan-1-oneCS-0263138EN300-85279G92186
Database identifiers
- CAS
95249-12-0- PubChem CID
- 5151044
- DTXSID
DTXSID00408845- EC Number
- 838-607-5
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Melting point
- 107 · 107-109 °C
- Boiling point
- 310.1 · 310.1±15.0 °C(Predicted)
- Density
- 1.042 · 1.042±0.06 g/cm3(Predicted)
- pka
- 2.79 · 2.79±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers6 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
8 records
Compound notes
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