Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride
Basic information
- CAS
63991-06-0- Standard SMILES
CC(C)c1ccccc1OCC(C)[NH+](CCCl)Cc1ccccc1.[Cl-]- InChIKey
IWGXWWNPWMLNMY-UHFFFAOYSA-N- Molecular formula
- C21H29Cl2NO
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 381.1626199
Names & identifiers
- Preferred name
- Benzylamine, N-(2-chloroethyl)-N-(o-cumenyloxyisopropyl)-, hydrochloride
- IUPAC
- benzyl-(2-chloroethyl)-[1-(2-propan-2-ylphenoxy)propan-2-yl]azanium chloride
Names & synonyms
SKF 1001-A2-Isopropylphenoxyisopropylbenzyl-beta-chloroethylamine hydrochloride63991-06-0BENZYLAMINE, N-(2-CHLOROETHYL)-N-(o-CUMENYLOXYISOPROPYL)-, HYDROCHLORIDERefChem:328809
Database identifiers
- CAS
63991-06-0- PubChem CID
- 46224
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 330
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Compound notes
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