CAS
92263-41-7 Purity
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92263-41-7 Purity
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(r*,r*)-3-Chloro-alpha-[1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol
CAS
92264-82-9
Catalog Number
ACM92264829
Category
Other Products
Molecular Weight
241.76
Molecular Formula
C13H20ClNO
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Specification
Synonyms
(αR)-rel-3-Chloro-α-[(1R)-1-[(1,1-dimethylethyl)amino]ethyl]benzenemethanol;
rac threo-Hydroxybupropion;
rac threo-Hydroxybupropion;
Density
1.078
Appearance
White to Off-White Solid
What is the molecular formula of the compound?
The molecular formula of the compound is C13H20ClNO.
What is the molecular weight of the compound?
The molecular weight of the compound is 241.76 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (1S,2S)-2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3/t9-,12+/m0/s1.
What is the InChIKey of the compound?
The InChIKey of the compound is NDPTTXIBLSWNSF-JOYOIKCWSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C(C1=CC(=CC=C1)Cl)O)NC(C)(C)C.
What is the synonym for the compound?
The synonym for the compound is Threohydrobupropion.
What is the CAS number of the compound?
The CAS number of the compound is 92264-82-9.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.7.
How many hydrogen bond donor counts does the compound have?
The compound has a hydrogen bond donor count of 2.
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CAS
92264-99-8 Purity
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92264-99-8 Purity
96%
