3-(Hydroxymethyl)-1-methylpyrrolidin-2-one
Basic information
- CAS
577780-05-3- Standard SMILES
CN1CCC(CO)C1=O- InChIKey
DOKXBBFVQUNEMW-UHFFFAOYSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- 3-(Hydroxymethyl)-1-methylpyrrolidin-2-one
- IUPAC
- 3-(hydroxymethyl)-1-methylpyrrolidin-2-one
- English name
- 2-Pyrrolidinone,3-(hydroxymethyl)-1-methyl-(9CI)
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
3-(hydroxymethyl)-1-methylpyrrolidin-2-one577780-05-3DTXSID20336732RefChem:275584DTXCID10287820832-588-73-(Hydroxymethyl)-1-methyl-2-pyrrolidinone2-Pyrrolidinone,3-(hydroxymethyl)-1-methyl-(9CI)MFCD188168702-Pyrrolidinone, 3-(hydroxymethyl)-1-methyl-N-Methyl-3-hydroxymethylpyrrolidin-2-oneSCHEMBL4062968
Show more names
AKOS016015057CS-W018824AS-67691SY023947DB-1224543-(Hydroxymethyl)-1-methyl-2-pyrrolidinone #EN300-176734N12775
Database identifiers
- CAS
577780-05-3- PubChem CID
- 535874
- DTXSID
DTXSID20336732- EC Number
- 832-588-7
Properties
Computed structural properties
- XLogP
- -0.3
- 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
- 124
Physicochemical properties
- Boiling point
- 281.8 · 281.8±13.0 °C(Predicted)
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.33 · 14.33±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
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
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
2 records
Compound notes
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