2-Amino-1-(4-methylphenyl)ethan-1-one
Basic information
- CAS
69872-37-3- Standard SMILES
Cc1ccc(C(=O)CN)cc1- InChIKey
FUFAHIJREMQVPV-UHFFFAOYSA-N- Molecular formula
- C9H11NO
- Average molar mass
- 149.19 g/mol
- Monoisotopic mass
- 149.08406397
Names & identifiers
- Preferred name
- 2-Amino-1-(4-methylphenyl)ethan-1-one
- IUPAC
- 2-amino-1-(4-methylphenyl)ethanone
- English name
- 2-Amino-4'-methylacetophenone
- Molecular formula
- C9H11NO
- Molecular weight
- 149.19
Names & synonyms
69872-37-32-amino-1-(4-methylphenyl)ethan-1-oneDTXSID10328409RefChem:255219DTXCID402795162-Amino-1-(p-tolyl)ethanone2-Amino-4'-methylacetophenone2-amino-1-(4-methylphenyl)ethanoneMFCD035360662-Amino-1-(p-tolyl)ethan-1-one4-METHYLPHENACYLAMINE2-amino-4-methyl-acetophenone
Show more names
4-(α-aminoacetyl)toluenea-Amino-4tolylacetophenoneα-Amino-4’-tolylacetophenone2-AMINO-4'-TOLYLACETOPHENONE4-(Methylbenzene)phenacylaminealpha-Amino-4'-tolylacetophenone
2-Amino-4'-methyl-acetophenoneEthanone, 2-amino-1-(4-methylphenyl)-SCHEMBL4385605SCHEMBL57000562-amino-1-(p-tolyl)-ethanoneFUFAHIJREMQVPV-UHFFFAOYSA-NSBB064220AKOS009142976
Database identifiers
- CAS
69872-37-3- PubChem CID
- 409944
- DTXSID
DTXSID10328409- Nikkaji
- J329.137E
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Boiling point
- 272.6 · 272.6±23.0 °C(Predicted)
- Density
- 1.058 · 1.058±0.06 g/cm3(Predicted)
- pka
- 7.1 · 7.10±0.29(Predicted)
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Related reactions
1 records
Compound notes
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