Basic information
- CAS
74229-00-8- Standard SMILES
CC[NH+](CC)Cc1oc2ccc([N+](=O)[O-])cc2c1-c1ccccc1.[Cl-]- InChIKey
WLOIBYSFBZTLFJ-UHFFFAOYSA-N- Molecular formula
- C19H21ClN2O3
- Average molar mass
- 360.8 g/mol
- Monoisotopic mass
- 360.1240702
Names & identifiers
- Preferred name
- 2-Benzofuranmethylamine, N,N-diethyl-5-nitro-3-phenyl-, hydrochloride
- IUPAC
- diethyl-[(5-nitro-3-phenyl-1-benzofuran-2-yl)methyl]azanium chloride
Names & synonyms
N,N-Diethyl-5-nitro-3-phenyl-2-benzofuranmethylamine hydrochloride2-BENZOFURANMETHYLAMINE, N,N-DIETHYL-5-NITRO-3-PHENYL-, HYDROCHLORIDE74229-00-8RefChem:256375
Database identifiers
- CAS
74229-00-8- PubChem CID
- 53002
Properties
Computed structural properties
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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