Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate

HCID 3755290
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Basic information

CAS
144688-83-5
Standard SMILES
C=CCC1CCCN1C(=O)OC(C)(C)C
InChIKey
REHOBPXCTRHRJK-UHFFFAOYSA-N
Molecular formula
C12H21NO2
Average molar mass
211.3 g/mol

Names & identifiers

Preferred name
Tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylate
IUPAC
tert-butyl 2-prop-2-enylpyrrolidine-1-carboxylate
English name
1-Pyrrolidinecarboxylic acid, 2-(2-propenyl)-, 1,1-diMethylethyl ester
Molecular formula
C12H21NO2
Molecular weight
211.3

Names & synonyms

144688-83-5tert-butyl 2-(prop-2-en-1-yl)pyrrolidine-1-carboxylateRefChem:892453984-427-61-Pyrrolidinecarboxylic acid, 2-(2-propen-1-yl)-, 1,1-dimethylethyl estertert-butyl 2-allylpyrrolidine-1-carboxylateSCHEMBL5849346AKOS025149092DB-419256EN300-69908061-Pyrrolidinecarboxylic acid, 2-(2-propenyl)-, 1,1-diMethylethyl ester

Database identifiers

CAS
144688-83-5
PubChem CID
3755290
EC Number
984-427-6
Nikkaji
J875.159E

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
15

Physicochemical properties

Boiling point
268 · 268.0±9.0 °C(Predicted)
Density
0.977 · 0.977±0.06 g/cm3(Predicted)
pka
-1.41 · -1.41±0.40(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

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

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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 CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Suppliers2 total

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
江苏药泽医药科技有限公司18550739526 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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