Acetamide, N-(4-butyl-2-nitrophenyl)-
Basic information
- CAS
3663-21-6- Standard SMILES
CCCCc1ccc(NC(C)=O)c([N+](=O)[O-])c1- InChIKey
XXHAVEZHZLGQOE-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609237
Names & identifiers
- Preferred name
- Acetamide, N-(4-butyl-2-nitrophenyl)-
- IUPAC
- N-(4-butyl-2-nitrophenyl)acetamide
- English name
- N-(4-butyl-2-nitrophenyl)acetamide
- Molecular formula
- C12H16N2O3
- Molecular weight
- 236.27
Names & synonyms
N-(4-Butyl-2-nitrophenyl)acetamideAcetamide, N-(4-butyl-2-nitrophenyl)-EINECS 222-915-6GQ46UP59Q3DTXSID8074601RefChem:108845DTXCID2039205222-915-63663-21-6UNII-GQ46UP59Q3SCHEMBL7203391SCHEMBL29511376
Show more names
N-(4-butyl-2-nitrophenyl)acetamide C12H16N2O3 236.27
XXHAVEZHZLGQOE-UHFFFAOYSA-NMFCD09834700SY354483NS00030066F18185
Database identifiers
- CAS
3663-21-6- PubChem CID
- 77228
- DTXSID
DTXSID8074601- UNII
- GQ46UP59Q3
- EC Number
- 222-915-6
- Nikkaji
- J205.575I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Experimental & physicochemical properties
LogP3.1
Physicochemical properties
- Melting point
- 71 · 71-73 °C
- Boiling point
- 425.7 · 425.7±38.0 °C(Predicted)
- Density
- 1.18 · 1.180±0.06 g/cm3(Predicted)
- pka
- 13.84 · 13.84±0.70(Predicted)
- FDA UNII
- 46 UP59Q3 · GQ46UP59Q3
- EPA Substance Registry System
- Acetamide, N-(4-butyl-2-nitrophenyl)- (3663-21-6)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetamide, N-(4-butyl-2-nitrophenyl)-: INACTIVE
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Compound notes
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