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13636-02-7 | 2-Thiophenemethanol, α-[2-(dimethylamino)ethyl]-
CAS No: 13636-02-7 Catalog No: AG0011T5 MDL No:MFCD09701963
Product Description
Catalog Number:
AG0011T5
Chemical Name:
2-Thiophenemethanol, α-[2-(dimethylamino)ethyl]-
CAS Number:
13636-02-7
Molecular Formula:
C9H15NOS
Molecular Weight:
185.2865
MDL Number:
MFCD09701963
IUPAC Name:
3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol
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
InChI Key:
XWCNSHMHUZCRLN-UHFFFAOYSA-N
SMILES:
CN(CCC(c1cccs1)O)C
EC Number:
603-957-8
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.087g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.285g/mol
Monoisotopic Mass:
185.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| High-performance liquid chromatographic method for the simultaneous estimation of the key intermediates of duloxetine. | Talanta 20051031 |
| Biotransformations for the production of the chiral drug (S)-Duloxetine catalyzed by a novel isolate of Candida tropicalis. | Applied microbiology and biotechnology 20050601 |
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