Basic information
- CAS
82856-97-1- Standard SMILES
CC(C)c1cc(N)c([N+](=O)[O-])cc1N- InChIKey
ABOWOWSCERRWAZ-UHFFFAOYSA-N- Molecular formula
- C9H13N3O2
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.10077667
Names & identifiers
- Preferred name
- 4-Amino-3-nitro-6-isopropylaniline
- IUPAC
- 2-nitro-5-propan-2-ylbenzene-1,4-diamine
- English name
- 4-Amino-3-nitro-6-isopropylaniline
- Molecular formula
- C9H13N3O2
- Molecular weight
- 195.22
Names & synonyms
4-Amino-3-nitro-6-isopropylaniline82856-97-11,4-Benzenediamine, 2-(1-methylethyl)-5-nitro-PMX59DR684CCRIS 81172-nitro-5-(propan-2-yl)benzene-1,4-diamine2-(1-Methylethyl)-5-nitro-1,4-benzenediamineUNII-PMX59DR684SCHEMBL11059638DTXSID801002964AKOS006277778AMINO-3-NITRO-6-ISOPROPYL-ANILINE, 4-
Database identifiers
- CAS
82856-97-1- PubChem CID
- 5488136
- DTXSID
DTXSID801002964- UNII
- PMX59DR684
- Nikkaji
- J579.786A
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 215
Physicochemical properties
- FDA UNII
- 59 DR684 · PMX59DR684
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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