Basic information
- Standard SMILES
Cc1cc([N+](=O)[O-])ccc1NCCN- InChIKey
DHFJJVFAXKMHDX-UHFFFAOYSA-N- Molecular formula
- C9H13N3O2
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.10077667
Names & identifiers
- Preferred name
- (2-Aminoethyl)(2-methyl-4-nitrophenyl)amine
- IUPAC
- N'-(2-methyl-4-nitrophenyl)ethane-1,2-diamine
Names & synonyms
1,2-ethanediamine, N-(2-methyl-4-nitrophenyl)-, hydrochloride(2-aminoethyl)(2-methyl-4-nitrophenyl)amineALBB-024864SBB018452STK661563AKOS003662657ST4142795N-(2-methyl-4-nitrophenyl)ethane-1,2-diamineN1-(2-methyl-4-nitrophenyl)ethane-1,2-diamine
Database identifiers
- PubChem CID
- 8469401
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 193
Related reactions
2 records
Compound notes
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