Basic information
- CAS
573720-46-4- Standard SMILES
CC(c1ccccc1CNCCN)[N+](=O)[O-]- InChIKey
COLDCYHZWGSLEJ-UHFFFAOYSA-N- Molecular formula
- C11H17N3O2
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.13207679
Names & identifiers
- Preferred name
- N-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamine
- IUPAC
- N'-[[2-(1-nitroethyl)phenyl]methyl]ethane-1,2-diamine
Names & synonyms
8A9BY0MJ7CN-((2-(1-Nitroethyl)phenyl)methyl)-1,2-ethanediamineUNII-8A9BY0MJ7C573720-46-41,2-Ethanediamine, N1-((2-(1-nitroethyl)phenyl)methyl)-DTXSID40866329N-[2-(1-Nitroethyl)benzyl]-1,2-ethanediamineQ27270100N~1~-{[2-(1-Nitroethyl)phenyl]methyl}ethane-1,2-diamine
Database identifiers
- CAS
573720-46-4- PubChem CID
- 65508
- DTXSID
DTXSID40866329- UNII
- 8A9BY0MJ7C
- Nikkaji
- J1.603.179H
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 218
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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