CAS 6853-14-1 2-(Dimethylamino)-1-phenylethanol (HCID 120846)

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Basic information

CAS: 6853-14-1
Standard SMILES: CN(C)CC(O)c1ccccc1
InChIKey: FUKFNSSCQOYPRM-UHFFFAOYSA-N
Molecular formula: C10H15NO
Average molar mass: 165.23 g/mol
Monoisotopic mass: 165.1153641

Names & identifiers

Preferred name: 2-(Dimethylamino)-1-phenylethanol
IUPAC: 2-(dimethylamino)-1-phenylethanol
English name: 1-Phenyl-2-dimethylaminoethanol
Molecular formula: C10H15NO
Molecular weight: 165.23

Names & synonyms

6853-14-12-(Dimethylamino)-1-phenylethanolDTXSID40912597RefChem:1061739DTXCID409159022-(dimethylamino)-1-phenylethan-1-olN,N-Dimethyl-2-hydroxy-2-phenylethylamineMFCD01708206(DIMETHYLAMINOMETHYL)BENZYL ALCOHOL1-Phenyl-2-dimethylaminoethanolMianserin impurity 01SCHEMBL804251

Show more names

1-Phenyl-2-(dimethylamino)ethanolN,N-Dimethyl-β-hydroxyphenethylamineBenzenemethanol, α-[(dimethylamino)methyl]-

SCHEMBL62849702-dimethylamino-1-phenyl-ethanolFUKFNSSCQOYPRM-UHFFFAOYSA-N2-(dimethylamino)-1-phenyl-ethanolAKOS009086784SB76515Racemic 2-dimethylamino-1-phenyl ethanolNS-01321

Database identifiers

CAS: 6853-14-1
PubChem CID: 120846
DTXSID: DTXSID40912597
Nikkaji: J50.045C

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 119

Experimental & physicochemical properties

LogP1.54

Physicochemical properties

Melting point: 153 °C · 153 °C
Boiling point: 94 · 94-97 °C(Press: 1 Torr)
Density: 0.9534 g/cm3 · 0.9534 g/cm3
storage temp.: 0 · Store at 0-8 °C
pka: 14.06 · 14.06±0.20(Predicted)
Appearance: yellow liquid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501