Basic information
- CAS
101832-86-4- Standard SMILES
O=[N+]([O-])c1ccc2c(C[NH+]3CCCCCC3)c[nH]c2c1.[Cl-]- InChIKey
UWNMAXDIFWCFBC-UHFFFAOYSA-N- Molecular formula
- C15H20ClN3O2
- Average molar mass
- 309.79 g/mol
- Monoisotopic mass
- 309.1244046
Names & identifiers
- Preferred name
- Indole, 3-(1H-azepinylmethyl)-6-nitro-, hydrochloride
- IUPAC
- 3-(azepan-1-ium-1-ylmethyl)-6-nitro-1H-indole chloride
Names & synonyms
6-Nitro-3-(hexamethyleneiminomethyl)indole hydrochloride101832-86-4INDOLE, 3-(1H-AZEPINYLMETHYL)-6-NITRO-, HYDROCHLORIDERefChem:349204
Database identifiers
- CAS
101832-86-4- PubChem CID
- 59017
Properties
Computed structural properties
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…