N-(3-Nitrophenyl)propionamide
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Basic information
- CAS
7470-50-0- Standard SMILES
CCC(=O)Nc1cccc([N+](=O)[O-])c1- InChIKey
KJYLJFHUBHZCKT-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- N-(3-Nitrophenyl)propionamide
- IUPAC
- N-(3-nitrophenyl)propanamide
- English name
- N-(3-nitrophenyl)propionamide
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
N-(3-Nitrophenyl)propionamideN-(3-nitrophenyl)propanamide7470-50-0MFCD00791259Propanamide, N-(3-nitrophenyl)-NSC-404310m-NitropropionanildeEINECS 231-267-3NSC4043103'-NitropropionanilideAI3-17678KZU5D5US7T
Show more names
Propionanilide, 3'-nitro-Oprea1_583815SCHEMBL5213509SCHEMBL11741613SCHEMBL30957465DTXSID70225687KJYLJFHUBHZCKT-UHFFFAOYSA-NSTL071265
Database identifiers
- CAS
7470-50-0- PubChem CID
- 81980
- DTXSID
DTXSID70225687- UNII
- KZU5D5US7T
- EC Number
- 231-267-3
- Nikkaji
- J29.441A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 104 · 104-104.5 °C
- Boiling point
- 384.9 · 384.9±25.0 °C(Predicted)
- Density
- 1.287 · 1.287±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 14.2 · 14.20±0.70(Predicted)
- FDA UNII
- 5 D5US7T · KZU5D5US7T
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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