Basic information
- CAS
645411-16-1- Standard SMILES
CNCCC(=O)c1cccs1.Cl- InChIKey
XVOVLSVOAJYLHZ-UHFFFAOYSA-N- Molecular formula
- C8H12ClNOS
- Average molar mass
- 205.71 g/mol
- Monoisotopic mass
- 205.0328129
Names & identifiers
- Preferred name
- 1-Propanone, 3-(methylamino)-1-(2-thienyl)-, hydrochloride (1:1)
- IUPAC
- 3-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochloride
- English name
- 1-Propanone, 3-(MethylaMino)-1-(2-thienyl)-, hydrochloride
- Molecular formula
- C8H12ClNOS
- Molecular weight
- 205.70498
Names & synonyms
645411-16-1RefChem:4363351-Propanone, 3-(methylamino)-1-(2-thienyl)-, hydrochloride (1:1)613-619-13-(Methylamino)-1-(thiophen-2-yl)propan-1-one hydrochloride1-Propanone, 3-(methylamino)-1-(2-thienyl)-, hydrochlorideMFCD237031033-(N-Methylamino)-1-(2-thienyl)-1-propanone HydrochlorideDuloxetine Impurity 53-(methylamino)-1-thiophen-2-ylpropan-1-one;hydrochlorideDuloxetine saltXVOVLSVOAJYLHZ-UHFFFAOYSA-N
Show more names
Duloxetine Impurity 22Propanoicacid,2-(8-nitrophenoxy)-1-Propanone,1-(3,6-dichlorophenyl)-Cyclobutane,3-(bromomethyl)-1,6-difluoro-3-(Methylamino)-1-(thiophen-2-yl)-1-propanone HCl
3-(Methylamino)-1-(2-thienyl)propan-1-one Hydrochloride; 3-(Methylamino)-1-(thiophen-2-yl)propan-1-one Hydrochloride; 3-(Methylamino)-1-(2-thienyl)-1-propanone Hydrochloride;SCHEMBL992300DTXSID404345073-(Methylamino)-1-(thiophen-2-yl)propan-1-onehydrochlorideAKOS016012340DS-6879SY317051CS-0150995
Properties
Computed structural properties
- Topological polar surface area
- 57.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Methanol (Slightly)
- form
- Solid
- color
- Light Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Corr. 1A (100%)；Aquatic Chronic 3 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses3-(N-Methylamino)-1-(2-thienyl)-1-propanone Hydrochloride is an intermediate in the synthesis of Duloxetine (D721000) derivatives.
Suppliers63 total
湖北万得化工有限公司15377098680 15377098680 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州理文科技有限公司18028686850 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海凌凯科技股份有限公司58950110 13124863828 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
Related reactions
2 records
Compound notes
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