N-(2-methyl-5-nitrophenyl)propanamide
Basic information
- CAS
77252-57-4- Standard SMILES
CCC(=O)Nc1cc([N+](=O)[O-])ccc1C- InChIKey
ZZYUACZQNLQTQG-UHFFFAOYSA-N- Molecular formula
- C10H12N2O3
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.08479225
Names & identifiers
- Preferred name
- N-(2-methyl-5-nitrophenyl)propanamide
- IUPAC
- N-(2-methyl-5-nitrophenyl)propanamide
- English name
- Propanamide, N-(2-methyl-5-nitrophenyl)-
- Molecular formula
- C10H12N2O3
- Molecular weight
- 208.21
Names & synonyms
N-(2-methyl-5-nitrophenyl)propanamide77252-57-4N-(2-Methyl-5-nitrophenyl)propionamideN-(2-Methyl-5-nitro-phenyl)-propionamideOprea1_789114SCHEMBL6405857DTXSID101286416STL261280AKOS000578378ST061288Propanamide, N-(2-methyl-5-nitrophenyl)-
Database identifiers
- CAS
77252-57-4- PubChem CID
- 794745
- DTXSID
DTXSID101286416- Nikkaji
- J596.807K
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Physicochemical properties
- Boiling point
- 383.2 · 383.2±30.0 °C(Predicted)
- Density
- 1.245 · 1.245±0.06 g/cm3(Predicted)
- pka
- 14.21 · 14.21±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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