Basic information
- CAS
122151-38-6- Standard SMILES
C[C@H](O)C(=O)N1CCCC1- InChIKey
KLCGBSXTJWOEJD-LURJTMIESA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Names & identifiers
- Preferred name
- (2S)-2-hydroxy-1-(1-pyrrolidinyl)-1-propanone
- IUPAC
- (2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one
- English name
- 1-[(2S-)-2-Hydroxy-1-oxo-proxyl]pyrrolidine
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
122151-38-6(2S)-2-Hydroxy-1-(1-pyrrolidinyl)-1-propanoneRefChem:398430601-833-8(S)-2-Hydroxy-1-(pyrrolidin-1-yl)propan-1-one(2S)-2-hydroxy-1-(pyrrolidin-1-yl)propan-1-one1-[(2S-)-2-Hydroxy-1-oxo-proxyl]pyrrolidineMFCD129127011-Propanone, 2-hydroxy-1-(1-pyrrolidinyl)-, (2S)-(2S)-2-Hydroxy-1-pyrrolidin-1-ylpropan-1-one(2S)-2-hydroxy-1-pyrrolidin-1-yl-propan-1-onePyrrolidine, 1-[(2S)-2-hydroxy-1-oxopropyl]-
Show more names
BOC SciencePosaconazole Impurity 115(S)-N,N-TetraMethylene-lactaMide1(2S)(2-HYDROXY-1-OXOPROPYL)PYRROLIDINE(S)-N,N-tetramethylene lactic acid amide(2S)-1-Oxo-1-(1-pyrrolidinyl)-2-propanol(S)-1-(pyrrolidin-1-yl)-2-hydroxypropan-1-one
(S)-2-Hydroxy-1-(1-pyrrolidinyl)-1-propanoneG3F3A2W6S7SCHEMBL3288873DTXSID30453323KLCGBSXTJWOEJD-LURJTMIESA-NAKOS016008166AS-68113DA-14180
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 95 · 95-97 °C(Press: 1 Torr)
- Density
- 1.141 · 1.141±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.65 · 13.65±0.20(Predicted)
- Appearance
- Colorless to light yellow Liquid
- optical activity
- Consistent with structure
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (96.6%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (96.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 29 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Regulatory InformationStatus: Active Update: 24-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23549
Hazard Classes and CategoriesSkin Irrit. 2 (96.6%)；Eye Irrit. 2 (96.6%)
Regulatory information
Regulatory InformationStatus: Active Update: 24-01-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23549
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers53 total
重庆欣博曜生物科技有限公司19122915778 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北海克斯生化有限公司17362916295; 17362916295 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
湖北辰心化工有限公司18696113233 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
Related reactions
4 records
Compound notes
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