Basic information
- CAS
59336-94-6- Standard SMILES
NCCn1cnc2cc([N+](=O)[O-])ccc21- InChIKey
LUHLCRYJPZWXSJ-UHFFFAOYSA-N- Molecular formula
- C9H10N4O2
- Average molar mass
- 206.2 g/mol
- Monoisotopic mass
- 206.08037557
Names & identifiers
- Preferred name
- Benzimidazole, 1-(2-aminoethyl)-5-nitro-
- IUPAC
- 2-(5-nitrobenzimidazol-1-yl)ethanamine
Names & synonyms
BRN 0917834BENZIMIDAZOLE, 1-(2-AMINOETHYL)-5-NITRO-1-(2-Aminoethyl)-5-nitrobenzimidazole59336-94-6DTXSID102080705-23-06-00285 (Beilstein Handbook Reference)RefChem:325815DTXCID301305612-(5-Nitro-1H-1,3-benzimidazol-1-yl)ethan-1-amine
Database identifiers
- CAS
59336-94-6- PubChem CID
- 43006
- DTXSID
DTXSID10208070- Nikkaji
- J69.183F
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 89.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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