Basic information
- CAS
61810-78-4- Standard SMILES
CN1CCC[C@H]1CCO- InChIKey
FYVMBPXFPFAECB-ZETCQYMHSA-N- Molecular formula
- C7H15NO
- Average molar mass
- 129.2 g/mol
- Monoisotopic mass
- 129.1153641
Names & identifiers
- Preferred name
- 1-Methyl-2-pyrrolidineethanol, (2S)-
- IUPAC
- 2-[(2S)-1-methylpyrrolidin-2-yl]ethanol
- English name
- (2S)-1-Methyl-2-Pyrrolidineethanol
- Molecular formula
- C7H15NO
- Molecular weight
- 129.2
Names & synonyms
61810-78-4(S)-2-(1-Methylpyrrolidin-2-yl)ethanol96S17PHF001-Methyl-2-pyrrolidineethanol, (2S)-2-Pyrrolidineethanol, 1-methyl-, (2S)-UNII-96S17PHF00RefChem:197058(S)-2-(1-METHYL-PYRROLIDIN-2-YL)-ETHANOL2-[(2S)-1-methylpyrrolidin-2-yl]ethanolMFCD18914397(S)-2-(1-methylpyrrolidin-2-yl)ethan-1-ol2-[(2S)-1-Methylpyrrolidin-2-yl]ethan-1-ol
Show more names
(S)-1-Methyl-2-pyrrolidineethanol2-((S)-1-methylpyrrolidin-2-yl)ethanol(2S)-1-Methyl-2-Pyrrolidineethanol(2S)-1-Methyl-2-Pyrrolidineethanol
Clemastine Impurity 10SCHEMBL21591048DTXSID80349202(2S)-1-Methyl-2-PyrrolidineethanolAKOS015851034AS-30933DB-258165DS-019167
Database identifiers
- CAS
61810-78-4- PubChem CID
- 643501
- DTXSID
DTXSID80349202- UNII
- 96S17PHF00
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Boiling point
- 214 · 214.0±0.0 °C(Predicted)
- Density
- 0.958 · 0.958±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 15.03 · 15.03±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- FDA UNII
- 96 S17PHF00 · 96S17PHF00
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 301 · P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P260-P264-P280-P305+P351+P338-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- Hazard statements
- H314
- Precautionary statements
- P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P260-P264-P280-P305+P351+P338-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers17 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
北京阳光福润科技有限公司010-57495520 13521095525 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
南京斯泰尔医药科技有限公司025-86711996 18351956221 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
成都诺维尔生物医药有限公司028-85255396 18302801538 · [email protected]
上海凌凯科技股份有限公司021-58950110 13124863828 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
上海智乾生物科技有限公司[email protected]
上海传芊化工科技中心15869524721 · [email protected]
佰美济华（河南）医药科技有限公司0371-88900765 18037465274 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
Related reactions
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Compound notes
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