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CAS 1227-99-2 manufacturers and suppliers on PharmaCompass

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  • Chemistry
Alpha-Phenyl-Alpha-2-Thienylmorpholinepropan-1-Ol
Also known as: 1227-99-2, 3-morpholin-4-yl-3-phenyl-3-thiophen-2-ylpropan-1-ol, Einecs 214-964-7, Dtxsid20924239
Molecular Formula
C17H21NO2S
Molecular Weight
303.4  g/mol
InChI Key
KSDLQUXUZHPAGK-UHFFFAOYSA-N

1 2D Structure

Alpha-Phenyl-Alpha-2-Thienylmorpholinepropan-1-Ol

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-morpholin-4-yl-3-phenyl-3-thiophen-2-ylpropan-1-ol
2.1.2 InChI
InChI=1S/C17H21NO2S/c19-11-8-17(16-7-4-14-21-16,15-5-2-1-3-6-15)18-9-12-20-13-10-18/h1-7,14,19H,8-13H2
2.1.3 InChI Key
KSDLQUXUZHPAGK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1COCCN1C(CCO)(C2=CC=CC=C2)C3=CC=CS3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1227-99-2

2. 3-morpholin-4-yl-3-phenyl-3-thiophen-2-ylpropan-1-ol

3. Einecs 214-964-7

4. Dtxsid20924239

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 303.4 g/mol
Molecular Formula C17H21NO2S
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass303.12930009 g/mol
Monoisotopic Mass303.12930009 g/mol
Topological Polar Surface Area60.9 Ų
Heavy Atom Count21
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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