Basic information
- CAS
5448-31-7- Standard SMILES
CC(C)(CNc1ccccc1)[N+](=O)[O-]- InChIKey
VXMCOYAYZHUGIT-UHFFFAOYSA-N- Molecular formula
- C10H14N2O2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.10552769
Names & identifiers
- Preferred name
- Benzenamine, N-(2-methyl-2-nitropropyl)-
- IUPAC
- N-(2-methyl-2-nitropropyl)aniline
- English name
- N-(2-Methyl-2-nitropropyl)benzenamine
- Molecular formula
- C10H14N2O2
- Molecular weight
- 194.23
Names & synonyms
Benzenamine, N-(2-methyl-2-nitropropyl)-5448-31-7NSC 17722AI3-28063DTXSID2063896RefChem:561972DTXCID9041730n-(2-methyl-2-nitropropyl)anilineNSC17722SCHEMBL34204541-anilino-2-methyl-2-nitropropaneNSC-17722
Show more names
N-(2-Methyl-2-nitropropyl)benzenamine
AKOS040791675Benzenamine,n-(2-methyl-2-nitropropyl)-DS-009895
Database identifiers
- CAS
5448-31-7- PubChem CID
- 79533
- DTXSID
DTXSID2063896- Nikkaji
- J421.767E
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Physicochemical properties
- EPA Substance Registry System
- Benzenamine, N-(2-methyl-2-nitropropyl)- (5448-31-7)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, N-(2-methyl-2-nitropropyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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