3,3-Dimethylpyrrolidin-2-one

HCID 5114908
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Basic information

CAS
4831-43-0
Standard SMILES
CC1(C)CCNC1=O
InChIKey
IYZVTTRRGCJXGK-UHFFFAOYSA-N
Molecular formula
C6H11NO
Average molar mass
113.16 g/mol
Monoisotopic mass
113.08406397

Names & identifiers

Preferred name
3,3-Dimethylpyrrolidin-2-one
IUPAC
3,3-dimethylpyrrolidin-2-one
English name
3,3-Dimethyl-2-pyrrolidinone
Molecular formula
C6H11NO
Molecular weight
113.16

Names & synonyms

3,3-dimethylpyrrolidin-2-oneRefChem:485611842-240-63,3-dimethyl-2-pyrrolidinone4831-43-0MFCD166228134-dimethyl-5-pyrrolidoneSCHEMBL2476393,3-Dimethyl-pyrrolidin-2-oneDTXSID404084852-Pyrrolidinone, 3,3-dimethyl-AKOS006337074
Show more names
DIMETHYLPYRROLIDINONE3,3-Dimethyl-2-pyrrolidone3,3-dimethyl-2-pyrolidineone3,3-Dimethyl-2-oxopyrrolidine3,3-Dimethylpyrrolidin-2-one - [D13691]3,3-dimethyl-2-pyrrolidinone(SALTDATA: FREE)
FE-0712SB12003SY067839CS-0046646EN300-90492Z1201628732AMY23821FT-0681970

Database identifiers

CAS
4831-43-0
PubChem CID
5114908
DTXSID
DTXSID40408485
ChEMBL
CHEMBL294847
EC Number
842-240-6
Nikkaji
J746.315D

Properties

Computed structural properties

XLogP
0.5
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
8

Physicochemical properties

Melting point
66 °C · 66°C
Boiling point
211.9 °C · 211.9°C (rough estimate)
Density
1.0223 · 1.0223 (rough estimate)
refractive index
1.465 · 1.4650 (estimate)
storage temp.
2 · 2-8°C
pka
16.7 · 16.70±0.40(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Downstream products

Suppliers52 total

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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