Basic information
- CAS
6503-65-7- Standard SMILES
O=C(c1ccc(Cl)cc1)C(c1ccccc1)[NH+](CCO)CCO.[Cl-]- InChIKey
MZAJCBHZONRNMG-UHFFFAOYSA-N- Molecular formula
- C18H21Cl2NO3
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 369.0898489
Names & identifiers
- Preferred name
- Acetophenone, 2-(bis(2-hydroxyethyl))amino-p-chloro-2-phenyl-, hydrochloride
- IUPAC
- [2-(4-chlorophenyl)-2-oxo-1-phenylethyl]-bis(2-hydroxyethyl)azanium chloride
Names & synonyms
Benzoin, deoxy-alpha-(bis(2-hydroxyethyl))amino-ACETOPHENONE, 2-(BIS(2-HYDROXYETHYL))AMINO-p-CHLORO-2-PHENYL-, HYDROCHLORIDE6503-65-7RefChem:316911
Database identifiers
- CAS
6503-65-7- PubChem CID
- 23004
Properties
Computed structural properties
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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