Benzenamine, N-hydroxy-2-methyl-3-nitro-
Basic information
- CAS
5805-95-8- Standard SMILES
Cc1c(NO)cccc1[N+](=O)[O-]- InChIKey
HIXIHBIHMDSOMK-UHFFFAOYSA-N- Molecular formula
- C7H8N2O3
- Average molar mass
- 168.15 g/mol
- Monoisotopic mass
- 168.05349212
Names & identifiers
- Preferred name
- Benzenamine, N-hydroxy-2-methyl-3-nitro-
- IUPAC
- N-(2-methyl-3-nitrophenyl)hydroxylamine
- English name
- 2-Hydroxylamino-6-nitrotoluene
- Molecular formula
- C7H8N2O3
- Molecular weight
- 168.15
Names & synonyms
2-Hydroxylamino-6-nitrotoluene5805-95-8N-(3-Nitro-o-tolyl)hydroxylamineBenzenamine, N-hydroxy-2-methyl-3-nitro-Hydroxylamine, N-(3-nitro-o-tolyl)-N-Hydroxy-2-methyl-3-nitrobenzenamineDTXSID10206778RefChem:323010DTXCID40129269N-Hydroxy-2-methyl-3-nitroanilineAKOS006276271
Database identifiers
- CAS
5805-95-8- PubChem CID
- 5489549
- DTXSID
DTXSID10206778- Nikkaji
- J492.390A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 115 °C · 115 °C
- Boiling point
- 294.6 · 294.6±50.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- pka
- 8.25 · 8.25±0.70(Predicted)
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Related reactions
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Compound notes
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