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rel-(αR)-3-Chloro-α-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol

rel-(αR)-3-Chloro-α-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol structure

CAS No:
92264-82-9
Formula:
C13H20ClNO
Chemical Name:
rel-(αR)-3-Chloro-α-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol
Synonyms:
Benzenemethanol,3-chloro-α-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]-,(αR)-rel-;Benzenemethanol,3-chloro-α-[1-[(1,1-dimethylethyl)amino]ethyl]-,(R*,R*)-;rel-(αR)-3-Chloro-α-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol;Threohydroxybupropion;82793-83-7

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Description

White to Off-White Solid

rel-(αR)-3-Chloro-α-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol Basic Attributes

Molecular Weight：

241.75700

Exact Mass：

241.76

DSSTox ID：

DTXSID70431488

Characteristics

PSA：

32.26000

XLogP3：

3.54090

Density：

1.078

Melting Point：

52-53ºC

Boiling Point：

347.2ºC at 760 mmHg

Refractive Index：

1.527

Storage Conditions：

Refrigerator

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

MeSH Entry Terms：

erythrohydrobupropion

rel-(αR)-3-Chloro-α-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol Use and Manufacturing

A metabolite of the drug Bupropion (B689625).

Computed Properties

Molecular Weight:241.76
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:241.1233420
Monoisotopic Mass:241.1233420
Topological Polar Surface Area:32.3
Heavy Atom Count:16
Complexity:215
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of rel-(αR)-3-Chloro-α-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

rel-(αR)-3-Chloro-α-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol

SDS

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