Basic information
- CAS
106692-36-8- Standard SMILES
CC(=O)NCCCN1CCCC1=O- InChIKey
OAUYENAPBFTAQT-UHFFFAOYSA-N- Molecular formula
- C9H16N2O2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.12117776
Overview
N-(3-acetamidopropyl)pyrrolidin-2-one is a member of the class of pyrrolidin-2-ones in which the amide hydrogen of pyrrolidin-2-one has been replaced by a 3-acetamidopropyl group. It has a role as a human urinary metabolite. It is a member of acetamides and a member of pyrrolidin-2-ones.
Names & identifiers
- Preferred name
- N-(3-(2-Oxo-1-pyrrolidinyl)propyl)acetamide
- IUPAC
- N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
- English name
- N-(3-acetamidopropyl)pyrrolidin-2-one
- Molecular formula
- C9H16N2O2
- Molecular weight
- 0
Names & synonyms
106692-36-8N-(3-Acetamidopropyl)pyrrolidin-2-oneCHEBI:133185DTXSID60147728RefChem:826124DTXCID2070219N-(3-(2-Oxo-1-pyrrolidinyl)propyl)acetamideN-[3-(2-oxopyrrolidin-1-yl)propyl]acetamideAcisogaN-acetylisoputreanine-gamma-lactamN-(3-(2-oxopyrrolidin-1-yl)propyl)acetamideSCHEMBL425351
Show more names
SCHEMBL425352GEA69236N-(3-acetamidopropyl) pyrrolidin-2-oneN-(3-acetylaminopropyl)pyrrolidin-2-oneEN300-248975G39223Acetamide, N-(3-(2-oxo-1-pyrrolidinyl)propyl)-
Database identifiers
- CAS
106692-36-8- PubChem CID
- 129397
- DTXSID
DTXSID60147728- ChEBI
CHEBI:133185- EC Number
- 868-580-5
- Nikkaji
- J396.364K
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
成都梓永智研生物科技有限公司17780686372 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Additional notes
DefinitionChEBI: A member of the class of pyrrolidin-2-ones in which the amide hydrogen of pyrrolidin-2-one has been replaced by a 3-acetamidopropyl group.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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