Basic information
- CAS
7356-70-9- Standard SMILES
CCN(CC)CC(Cc1ccccc1)OC(=O)Nc1ccccc1.Cl- InChIKey
KFQDOBCSYGXLPT-UHFFFAOYSA-N- Molecular formula
- C20H27ClN2O2
- Average molar mass
- 362.9 g/mol
- Monoisotopic mass
- 362.1761058
Names & identifiers
- Preferred name
- Phenethyl alcohol, alpha-(diethylaminomethyl)-, carbanilate, hydrochloride
- IUPAC
- [1-(diethylamino)-3-phenylpropan-2-yl] N-phenylcarbamate;hydrochloride
Names & synonyms
7356-70-9Phenethyl alcohol, alpha-(diethylaminomethyl)-, carbanilate, hydrochlorideRefChem:1094684NSC 41526Carbanilic acid, alpha-(diethylaminomethyl)phenethyl ester, hydrochloride2-(1-Diethylamino-3-phenylpropyl) carbanilate hydrochlorideBenzeneethanol, alpha-((diethylamino)methyl)-, phenylcarbamate (ester), monohydrochlorideNSC41526NSC-41526
Database identifiers
- CAS
7356-70-9- PubChem CID
- 202044
Properties
Computed structural properties
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…