Formylaminoacetophenone
Basic information
- CAS
5257-06-7- Standard SMILES
CC(=O)c1ccccc1NC=O- InChIKey
WAEJUYSDAMMJMI-UHFFFAOYSA-N- Molecular formula
- C9H9NO2
- Average molar mass
- 163.17 g/mol
- Monoisotopic mass
- 163.06332853
Overview
specific substrate for a formamidase from pig liver
Names & identifiers
- Preferred name
- Formylaminoacetophenone
- IUPAC
- N-(2-acetylphenyl)formamide
- English name
- N-(2-Acetylphenyl)formamide
- Molecular formula
- C9H9NO2
- Molecular weight
- 163.17
Names & synonyms
5257-06-7FormylaminoacetophenoneNP6N4L1Z3XFormamide, N-(2-acetylphenyl)-2-ACETYLFORMANILIDENSC-266179RefChem:921775n-(2-acetylphenyl)formamideo-formamidoacetophenone2-acetylphenylformamideo-formaminoacetophenone(2-Acetylphenyl)formamide
Show more names
2-Acetyl-N-formylaniline
UNII-NP6N4L1Z3X2'-ACETYLFORMANILIDEFormamide, (2-acetylphenyl)-N-(2-acetyl-phenyl)-formamideSCHEMBL3900033SCHEMBL29467931DTXSID10905017FORMANILIDE, 2'-ACETYL-
Database identifiers
- CAS
5257-06-7- PubChem CID
- 99684
- DTXSID
DTXSID10905017- UNII
- NP6N4L1Z3X
- Nikkaji
- J386.677G
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 65 °C · 65 °C
- Boiling point
- 359.1 · 359.1±25.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 14.43 · 14.43±0.70(Predicted)
- FDA UNII
- 6 N4L1Z3X · NP6N4L1Z3X
- HS Code
- 2924297099 · 2924297099
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2924297099
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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