Benzimidazole, 1-(2-aminoethyl)-6-nitro-

HCID 43007

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Basic information

CAS: 59336-95-7
Standard SMILES: NCCn1cnc2ccc([N+](=O)[O-])cc21
InChIKey: WRSQDNGQTXZUBF-UHFFFAOYSA-N
Molecular formula: C9H10N4O2
Average molar mass: 206.2 g/mol
Monoisotopic mass: 206.08037557

Names & identifiers

Preferred name: Benzimidazole, 1-(2-aminoethyl)-6-nitro-
IUPAC: 2-(6-nitrobenzimidazol-1-yl)ethanamine

Names & synonyms

BRN 0917691BENZIMIDAZOLE, 1-(2-AMINOETHYL)-6-NITRO-1-(2-Aminoethyl)-6-nitrobenzimidazole59336-95-7DTXSID702080715-23-06-00281 (Beilstein Handbook Reference)RefChem:325816DTXCID901305622-(6-Nitro-1H-1,3-benzimidazol-1-yl)ethan-1-amine

Database identifiers

CAS: 59336-95-7
PubChem CID: 43007
DTXSID: DTXSID70208071
Nikkaji: J69.184D

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 89.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 243

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