3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol - CAS 13636-02-7
Catalog: |
BB008353 |
Product Name: |
3-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol |
CAS: |
13636-02-7 |
Synonyms: |
3-(Dimethylamino)-1-(2-thienyl)-1-propanol; α-[2-(Dimethylamino)ethyl]-2-thiophenemethanol |
IUPAC Name: | 3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol |
Description: | 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 |
InChI Key: | XWCNSHMHUZCRLN-UHFFFAOYSA-N |
Boiling Point: | 290.1±30.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Solubility: | Other solvents(Soluble) : Methanol |
LogP: | 1.73320 |
GHS Hazard Statement: | H302 (66.67%): 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, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113072486-A | Amino alcohol-boron-binaphthol complex and preparation method of optically active amino alcohol derivative using same | 20200106 |
US-11130734-B2 | Amino alcohol-boron-binol complex and method for preparing optically active amino alcohol derivative by using same | 20200106 |
US-2021206719-A1 | Amino alcohol-boron-binol complex and method for preparing optically active amino alcohol derivative by using same | 20200106 |
CN-109769856-B | Diatomite insecticide, preparation method and application thereof | 20190307 |
CN-107151241-B | Novel amine compounds and their use for treating depression | 20160303 |
PMID | Publication Date | Title | Journal |
18970267 | 20051031 | High-performance liquid chromatographic method for the simultaneous estimation of the key intermediates of duloxetine | Talanta |
15660213 | 20050601 | Biotransformations for the production of the chiral drug (S)-Duloxetine catalyzed by a novel isolate of Candida tropicalis | Applied microbiology and biotechnology |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
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: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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