1-((Pyrrolidin-3-yl)methyl)pyrrolidin-2-one
Basic information
- CAS
1250178-52-9- Standard SMILES
O=C1CCCN1CC1CCNC1- InChIKey
UOEQVGGEGKRRLM-UHFFFAOYSA-N- Molecular formula
- C9H16N2O
- Average molar mass
- 168.24 g/mol
- Monoisotopic mass
- 168.12626314
Names & identifiers
- Preferred name
- 1-((Pyrrolidin-3-yl)methyl)pyrrolidin-2-one
- IUPAC
- 1-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one
- English name
- 1-(3-Pyrrolidinylmethyl)-2-pyrrolidinone
- Molecular formula
- C9H16N2O
- Molecular weight
- 168.24
Names & synonyms
1250178-52-91-[(pyrrolidin-3-yl)methyl]pyrrolidin-2-one1-((Pyrrolidin-3-yl)methyl)pyrrolidin-2-oneRefChem:418918960-086-91-(pyrrolidin-3-ylmethyl)pyrrolidin-2-one1-(3-pyrrolidinylmethyl)-2-pyrrolidinoneCHEMBL4567589SCHEMBL26129643AAC17852AKOS011656944DB-131752
Show more names
2-Pyrrolidinone, 1-(3-pyrrolidinylmethyl)-
EN300-218955
Database identifiers
- CAS
1250178-52-9- PubChem CID
- 62370906
- ChEMBL
CHEMBL4567589- EC Number
- 960-086-9
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Boiling point
- 319 · 319.0±15.0 °C(Predicted)
- Density
- 1.087 · 1.087±0.06 g/cm3(Predicted)
- pka
- 10.16 · 10.16±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 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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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