Basic information
- CAS
45657-97-4- Standard SMILES
O=C(CO)N1CCCC1- InChIKey
RWGVUODVPQFWCJ-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- 2-Hydroxy-1-(pyrrolidin-1-yl)ethan-1-one
- IUPAC
- 2-hydroxy-1-pyrrolidin-1-ylethanone
- English name
- 2-hydroxy-1-(1-pyrrolidinyl)-Ethanone
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
45657-97-42-hydroxy-1-(pyrrolidin-1-yl)ethan-1-one2-hydroxy-1-(pyrrolidin-1-yl)ethanone2-hydroxy-1-pyrrolidin-1-ylethanoneMFCD100484692-hydroxy-1-pyrrolidin-1-yl-ethanonePyrrolidine, 1-(hydroxyacetyl)-2-hydroxy-1-(1-pyrrolidinyl)EthanoneSCHEMBL423971SCHEMBL423972CHEMBL455847SCHEMBL1706484
Show more names
Cinepazide Impurity 142-hydroxy-1-(1-pyrrolidinyl)-EthanoneEthanone, 2-hydroxy-1-(1-pyrrolidinyl)-2-hydroxy-1-(pyrrolidin-1-yl)ethanone(WXC07884)
SCHEMBL2644810SCHEMBL23210724RWGVUODVPQFWCJ-UHFFFAOYSA-N1-Pyrrolidineethanol, .beta.-oxo-VBA65797AKOS009590244BS-13091DA-05712
Database identifiers
- CAS
45657-97-4- PubChem CID
- 6480485
- ChEMBL
CHEMBL455847- EC Number
- 880-389-9
- Nikkaji
- J1.610.236I
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Melting point
- 40 °C · 40 °C
- Boiling point
- 281.8 · 281.8±23.0 °C(Predicted)
- Density
- 1.19 · 1.190±0.06 g/cm3(Predicted)
- pka
- 13.58 · 13.58±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers6 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
苏州美石生物科技有限公司1173954148q · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
Related reactions
8 records
Compound notes
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