Basic information
- CAS
895581-20-1- Standard SMILES
O=C1CCCN1C1CCC(O)CC1- InChIKey
JQQONDVCJKOBDE-UHFFFAOYSA-N- Molecular formula
- C10H17NO2
- Average molar mass
- 183.25 g/mol
Names & identifiers
- Preferred name
- 1-(4-Hydroxycyclohexyl)pyrrolidin-2-one
- IUPAC
- 1-(4-hydroxycyclohexyl)pyrrolidin-2-one
- English name
- 1-(4-hydroxycyclohexyl)pyrrolidin-2-one
- Molecular formula
- C10H17NO2
- Molecular weight
- 183.25
Names & synonyms
1-(4-hydroxycyclohexyl)pyrrolidin-2-one895581-20-1RefChem:425657830-796-2886615-37-81-[(1r,4r)-4-hydroxycyclohexyl]pyrrolidin-2-onecis-1-(4-hydroxy-cyclohexyl)-pyrrolidin-2-one1-(trans-4-hydroxy-cyclohexyl)-pyrrolidin-2-one886615-39-0cis-1-(4-Hydroxycyclohexyl)-pyrrolidin-2-one1-((1r,4r)-4-hydroxycyclohexyl)pyrrolidin-2-oneRel-1-((1r,4r)-4-hydroxycyclohexyl)pyrrolidin-2-one
Show more names
2-Pyrrolidinone, 1-(4-hydroxycyclohexyl)-
starbld0047854SCHEMBL208597SCHEMBL208598SCHEMBL209247CHEMBL4571600JQQONDVCJKOBDE-DTORHVGOSA-NJQQONDVCJKOBDE-KYZUINATSA-NVKB58120
Database identifiers
- CAS
895581-20-1- PubChem CID
- 59299306
- ChEMBL
CHEMBL4571600- EC Number
- 830-796-2
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
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Boiling point
- 356.6 · 356.6±35.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- pka
- 15.03 · 15.03±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
Toronto Research Chemicals Inc.[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
5 records
Compound notes
Loading…