Basic information
- CAS
1147094-83-4- Standard SMILES
CC(C)CNc1cccc([N+](=O)[O-])c1- InChIKey
IXYWBWFURWYREI-UHFFFAOYSA-N- Molecular formula
- C10H14N2O2
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.10552769
Names & identifiers
- Preferred name
- N-(2-Methylpropyl)-3-nitrobenzenamine
- IUPAC
- N-(2-methylpropyl)-3-nitroaniline
Names & synonyms
N-(2-Methylpropyl)-3-nitrobenzenamineDTXSID301286179N-(2-methylpropyl)-3-nitroaniline1147094-83-4
Database identifiers
- CAS
1147094-83-4- PubChem CID
- 43461663
- DTXSID
DTXSID301286179
Properties
Computed structural properties
- XLogP
- 3.1
- 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
- 189
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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