N~1~-[1-(4-Chlorophenyl)ethyl]-N~2~,N~2~-dimethyl-N~1~-phenylethane-1,2-diamine--hydrogen chloride (1/1)
Basic information
- CAS
95167-71-8- Standard SMILES
CC(c1ccc(Cl)cc1)N(CCN(C)C)c1ccccc1.Cl- InChIKey
ZUEGNDNAZMRTOA-UHFFFAOYSA-N- Molecular formula
- C18H24Cl2N2
- Average molar mass
- 339.3 g/mol
- Monoisotopic mass
- 338.1316542
Overview
See also: Vufb 3423 (preferred).
Names & identifiers
- Preferred name
- N~1~-[1-(4-Chlorophenyl)ethyl]-N~2~,N~2~-dimethyl-N~1~-phenylethane-1,2-diamine--hydrogen chloride (1/1)
- IUPAC
- N'-[1-(4-chlorophenyl)ethyl]-N,N-dimethyl-N'-phenylethane-1,2-diamine;hydrochloride
Names & synonyms
DTXSID20915081N~1~-[1-(4-Chlorophenyl)ethyl]-N~2~,N~2~-dimethyl-N~1~-phenylethane-1,2-diamine--hydrogen chloride (1/1)
Database identifiers
- CAS
95167-71-8- PubChem CID
- 138397166
- DTXSID
DTXSID20915081
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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