2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine
Basic information
- CAS
13171-58-9- Standard SMILES
Cc1c(N)c(C)c([N+](=O)[O-])c(C)c1N- InChIKey
JLBUUEYPQXGTRY-UHFFFAOYSA-N- Molecular formula
- C9H13N3O2
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.10077667
Names & identifiers
- Preferred name
- 2,4,6-Trimethyl-5-nitrobenzene-1,3-diamine
- IUPAC
- 2,4,6-trimethyl-5-nitrobenzene-1,3-diamine
Names & synonyms
13171-58-92,4,6-trimethyl-5-nitrobenzene-1,3-diamineNSC159421SCHEMBL27224483DTXSID00303624NSC-159421
Database identifiers
- CAS
13171-58-9- PubChem CID
- 293105
- DTXSID
DTXSID00303624- Nikkaji
- J885.344D
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 97.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 213
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Compound notes
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