2,2-Dimethylpyrrolidine

HCID 414773
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Basic information

CAS
35018-15-6
Standard SMILES
CC1(C)CCCN1
InChIKey
PHODFIDDEBEGCS-UHFFFAOYSA-N
Molecular formula
C6H13N
Average molar mass
99.17 g/mol
Monoisotopic mass
99.10479942

Names & identifiers

Preferred name
2,2-Dimethylpyrrolidine
IUPAC
2,2-dimethylpyrrolidine
English name
2,2-Dimethylpyrrolidine
Molecular formula
C6H13N
Molecular weight
99.17

Names & synonyms

2,2-dimethylpyrrolidine35018-15-6DTXSID60328878RefChem:441474DTXCID70279983Pyrrolidine, 2,2-dimethyl-2,2-dimethyl-pyrrolidineMFCD08457313Pyrrolidine,2,2-dimethyl-22-Dimethylpyrrolidine2.2-Dimethylpyrrolidin2,2-dimethyl-pyrolidine
Show more names
2,2-dimethylpyrolidine2,2-DiMethylpyrrolidine HCl salt2,2-dimethylpyrrolidine - [D23214]2,2-dimethylpyrrolidine(SALTDATA: FREE)
2,2,-dimethylpyrrolidineSCHEMBL28282SCHEMBL475622SCHEMBL3655904SCHEMBL6956489SCHEMBL9424275SCHEMBL12497354SCHEMBL26660280

Database identifiers

CAS
35018-15-6
PubChem CID
414773
DTXSID
DTXSID60328878
EC Number
106-732-8
Nikkaji
J1.103.202H

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
7

Experimental & physicochemical properties

Kovats Retention Index746；746

Physicochemical properties

Boiling point
145.71 °C · 145.71°C (rough estimate)
Density
0.8211 · 0.8211
refractive index
1.4304 · 1.4304
storage temp.
2 · 2-8°C, protect from light
pka
11.36 · 11.36±0.10(Predicted)
Appearance
Colorless to light yellow Liquid

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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%)

Chemistry & industry

Suppliers44 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]

Related reactions

14 records
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Compound notes

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