N,4-dimethyl-3-nitrobenzamide
Basic information
- CAS
329940-36-5- Standard SMILES
CNC(=O)c1ccc(C)c([N+](=O)[O-])c1- InChIKey
QGWGRJLQNCNLLM-UHFFFAOYSA-N- Molecular formula
- C9H10N2O3
- Average molar mass
- 194.19 g/mol
- Monoisotopic mass
- 194.06914219
Names & identifiers
- Preferred name
- N,4-dimethyl-3-nitrobenzamide
- IUPAC
- N,4-dimethyl-3-nitrobenzamide
- English name
- Benzamide, N,4-dimethyl-3-nitro-
- Molecular formula
- C9H10N2O3
- Molecular weight
- 194.19
Names & synonyms
N,4-dimethyl-3-nitrobenzamide329940-36-5Cambridge id 5343493Oprea1_227824SCHEMBL544644QGWGRJLQNCNLLM-UHFFFAOYSA-NN-methyl-4-methyl-3-nitrobenzamideMFCD00783663AKOS003819852ST010818N-methyl(4-methyl-3-nitrophenyl)carboxamideE89514
Show more names
Benzamide, N,4-dimethyl-3-nitro-
Database identifiers
- CAS
329940-36-5- PubChem CID
- 710838
- EC Number
- 169-530-9
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 334.8 · 334.8±35.0 °C(Predicted)
- Density
- 1.229 · 1.229±0.06 g/cm3(Predicted)
- pka
- 14.03 · 14.03±0.46(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Related reactions
1 records
Compound notes
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