Basic information
- CAS
13636-02-7- Standard SMILES
CN(C)CCC(O)c1cccs1- InChIKey
XWCNSHMHUZCRLN-UHFFFAOYSA-N- Molecular formula
- C9H15NOS
- Average molar mass
- 185.29 g/mol
- Monoisotopic mass
- 185.0874351
Names & identifiers
- Preferred name
- 3-(Dimethylamino)-1-(2-thienyl)-1-propanol
- IUPAC
- 3-(dimethylamino)-1-thiophen-2-ylpropan-1-ol
- English name
- 3-(Dimethylamino)-1-(2-thienyl)-1-propanol
- Molecular formula
- C9H15NOS
- Molecular weight
- 185.29
Names & synonyms
13636-02-73-(Dimethylamino)-1-(2-thienyl)-1-propanolDTXSID50468979EC 603-957-8N,N-dimethyl-3-(2-thienyl)-3-hydroxypropanamineRefChem:495008DTXCID40419798603-957-83-(dimethylamino)-1-(thiophen-2-yl)propan-1-ol3-(Dimethylamino)-1-(thiophen-2yl)propan1-olDuloxetine IMpurity 16C9H15NOS
Show more names
Duloxetine-173-(Dimethylamino)-1-Duloxetine Impurity50Duloxetine Impurity 193-(DiMethylaMino)-1-(2-Tienyl)-1-Popanol3-(Dimetylamino)-1-(2-thienyl)-1-propanol
MFCD097019633-(dimethylamino)-1-thiophen-2-ylpropan-1-ol2-Thiophenemethanol, alpha-[2-(dimethylamino)ethyl]-N,N-dimethyl-3-hydroxy-3-(2-thienyl)propanamineSY0144573-(Dimethylamino)-1-(2-thienyl)propan-1-ol3-(dimethylamino)-1-(2-thienyl) propan-1-ol(S)-3-(Dimethylamino)-1-(2-thienyl)-1-propanol
Database identifiers
- CAS
13636-02-7- PubChem CID
- 11586409
- DTXSID
DTXSID50468979- UNII
- K7XLV4ZX7B
- EC Number
- 603-957-8
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 51.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 70 to · 70.0 to 74.0 °C
- Boiling point
- 290 °C · 290°C
- Density
- 1.111 · 1.111
- Flash point
- 129 °C · 129°C
- storage temp.
- Room temperature.
- solubility
- soluble in Methanol
- pka
- 13.74 · 13.74±0.20(Predicted)
- form
- Crystalline
- color
- White to Almost white
- 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
- InChIKey
- XWCNSHMHUZCRLN-UHFFFAOYSA-N
- SMILES
- C1(C(O)CCN(C)C)=CC=CS1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313
- HS Code
- 2934999090 · 2934999090
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationStatus: Active Update: 28-11-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/7358
Hazard Classes and CategoriesAcute Tox. 4 (66.7%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Applications
Uses3-(Dimethylamino)-1-(2-thienyl)-1-propanol is useful for the preparation of chitosan compounds for optical isomer separating agents.
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
江西凡莱生物医药科技有限公司17080805366 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
淮安嘉目生物科技有限公司0517-83187139 18205232085 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海钰康生物科技有限公司18939844854 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
临沂盛鑫医药科技开发有限公司+86-18653953873 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
武汉励合化学新材料有限公司027-88395709
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
西安美川生物科技有限公司029-89275612 +8618991951683 · [email protected]
武汉鑫儒化工有限公司15927387915 15337108568
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
武汉裕清嘉衡药业有限公司027-83850122 13343472658 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
Related reactions
19 records
Compound notes
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