(S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol - CAS 132335-44-5

Name: (S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB007576
Product Name:	(S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol
CAS:	132335-44-5
Synonyms:	(S)-1-β-Hydroxy-1-(2-thienyl)-3-dimethylaminopropane; (S)-N,N-Dimethyl-3-(2-thienyl)-3-hydroxypropanamine; 2-Thiophenemethanol, α-[2-(dimethylamino)ethyl]-, (αS)-; (αS)-α-[2-(Dimethylamino)ethyl]-2-thiophenemethanol; 2-Thiophenemethanol, α-[2-(dimethylamino)ethyl]-, (S)-; (1S)-3-(Dimethylamino)-1-(2-thienyl)-1-propanol; (1S)-3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-ol; (S)-(-)-3-(Dimethylamino)-1-(thiophen-2-yl)propan-1-ol; (S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propanamine; (S)-(-)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)propylamine; (S)-3-(Dimethylamino)-1-(2-thienyl)-1-propanol; (S)-N,N-Dimethyl-3-hydroxy-3-(2-thienyl)-1-propylamine; (S)-α-[2-(Dimethylamino)ethyl]-2-thiophenemethanol

Technical Data

IUPAC Name:	(1S)-3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol
Description:	(S)-3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol is an impurity of Duloxetine, an antidepressant medication used to treat major depressive disorder.
Molecular Weight:	185.29
Molecular Formula:	C9H15NOS
Canonical SMILES:	CN(C)CCC(C1=CC=CS1)O
InChI:	InChI=1S/C9H15NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7-8,11H,5-6H2,1-2H3/t8-/m0/s1
InChI Key:	XWCNSHMHUZCRLN-QMMMGPOBSA-N
Boiling Point:	290.1±30.0°C at 760 mmHg
Melting Point:	78-80°C
Purity:	≥95%
Density:	1.111±0.06 g/cm3
Solubility:	Soluble in Chloroform (Slightly), Methanol (Slightly)
Appearance:	White Solid
Storage:	Store at -20°C
MDL:	MFCD07782107
LogP:	1.73320

GHS Hazard Statement:	H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113249349-A	Mutant alcohol dehydrogenase, recombinant vector, preparation method and application thereof	20210622
CN-111979207-A	Aldehyde ketone reductase and method for preparing chiral duloxetine intermediate by asymmetric reduction	20200803
CN-113072486-A	Amino alcohol-boron-binaphthol complex and preparation method of optically active amino alcohol derivative using same	20200106
KR-20210088280-A	Aminoalcohol-boron-binol complexes and a method for preparing optically active aminoalcohol derivatives using the same	20200106
US-11130734-B2	Amino alcohol-boron-binol complex and method for preparing optically active amino alcohol derivative by using same	20200106

Complexity:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	185.08743528
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.08743528
Rotatable Bond Count:	4
Topological Polar Surface Area:	51.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2