1-(4-Chlorophenyl)-3-(dimethylamino)propan-1-ol

Substructure search Find similar structures

Basic information

CAS: 16254-21-0
Standard SMILES: CN(C)CCC(O)c1ccc(Cl)cc1
InChIKey: GXYMVYGPHADUNW-UHFFFAOYSA-N
Molecular formula: C11H16ClNO
Average molar mass: 213.7 g/mol
Monoisotopic mass: 213.0920418

Names & identifiers

Preferred name: 1-(4-Chlorophenyl)-3-(dimethylamino)propan-1-ol
IUPAC: 1-(4-chlorophenyl)-3-(dimethylamino)propan-1-ol
English name: 1-(4-Chloro-phenyl)-3-dimethylamino-propan-1-ol
Molecular formula: C11H16ClNO
Molecular weight: 213.7

Names & synonyms

16254-21-01-(4-chlorophenyl)-3-(dimethylamino)propan-1-olBenzenemethanol, 4-chloro-alpha-[2-(dimethylamino)ethyl]-1-(4-Chlorophenyl)-3-dimethylamino-propan-1-olSCHEMBL54543331-(4-CHLORO-PHENYL)-3-DIMETHYLAMINO-PROPAN-1-OLDTXSID50330102GXYMVYGPHADUNW-UHFFFAOYSA-NAKOS011936943alpha-[2-dimethylamino-ethyl]-4-chlorobenzene methanolBenzenemethanol, 4-chloro-α-[2-(dimethylamino)ethyl]-

Database identifiers

CAS: 16254-21-0
PubChem CID: 426495
DTXSID: DTXSID50330102

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 155

Physicochemical properties

Boiling point: 317.2 · 317.2±32.0 °C(Predicted)
Density: 1.129 · 1.129±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 14.01 · 14.01±0.20(Predicted)

Chemistry & industry

Upstream & downstream products

Upstream raw materials

1-(4-Chlorophenyl)-3-(dimethylamino)-1-propanone 1-(4-Chlorophenyl)-3-(dimethylamino)propan-1-one hydrochloride

Related reactions

1 records

New reaction record

HRID 848516As reactantuspto-grants-1981_10

Compound notes

Loading…