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1024590-32-6,MFCD25542384
Catalog No.:AA0007GN
1024590-32-6 | 1-Pyrrolidinecarboxylic acid, 3-(4-pyridinyl)-, 1,1-dimethylethyl ester
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Technical Information
Catalog Number:
AA0007GN
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-(4-pyridinyl)-, 1,1-dimethylethyl ester
CAS Number:
1024590-32-6
Molecular Formula:
C14H20N2O2
Molecular Weight:
248.3208
MDL Number:
MFCD25542384
IUPAC Name:
tert-butyl 3-pyridin-4-ylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H20N2O2/c1-14(2,3)18-13(17)16-9-6-12(10-16)11-4-7-15-8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3
InChI Key:
LOTBGBMAQSVUKN-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(C1)c1ccncc1)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.152g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.326g/mol
Monoisotopic Mass:
248.152g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
1024590-32-6 
tert-Butyl 3-(pyridin-4-yl)pyrrolidine-1-carboxylate 
DA-48290 
AB0081712 
AX8282543 
FT-0731790 
4-(N-t-butoxycarbonylpyrrolidin-3-yl)pyridine 
tert-butyl 3-pyridin-4-ylpyrrolidine-1-carboxylate 
F1967-3116 
3-(4-Pyridinyl)-1-pyrrolidinecarboxylic acid 1,1-dimethylethyl ester 
1-pyrrolidinecarboxylic acid 
1-PYRROLIDINECARBOXYLIC ACID, 3-(4-PYRIDINYL)-, 1,1-DIMETHYLETHYL ESTER 
DTXSID70857341 
CS-D1318 
MFCD25542384 
AKOS022175540 
FCH2896567 
AK142975 
AS-42082 
Literature
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