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1010446-31-7,MFCD18633366
Catalog No.:AA0003IW
1010446-31-7 | (S)-tert-Butyl 3-(piperazin-1-yl)pyrrolidine-1-carboxylate
Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$121.00   $85.00
- +
250mg
97%
in stock  
$189.00   $133.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA0003IW
Chemical Name:
(S)-tert-Butyl 3-(piperazin-1-yl)pyrrolidine-1-carboxylate
CAS Number:
1010446-31-7
Molecular Formula:
C13H25N3O2
Molecular Weight:
255.3565
MDL Number:
MFCD18633366
IUPAC Name:
tert-butyl (3S)-3-piperazin-1-ylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C13H25N3O2/c1-13(2,3)18-12(17)16-7-4-11(10-16)15-8-5-14-6-9-15/h11,14H,4-10H2,1-3H3/t11-/m0/s1
InChI Key:
HCNFKJFDUHUDTA-NSHDSACASA-N
SMILES:
O=C(N1CC[[email protected]@H](C1)N1CCNCC1)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
255.195g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
255.362g/mol
Monoisotopic Mass:
255.195g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Synonyms
 
1010446-31-7 
(S)-TERT-BUTYL 3-(PIPERAZIN-1-YL)PYRROLIDINE-1-CARBOXYLATE 
CB-2037 
DS-7288 
FCH3606955 
AJ-114882 
AX8281699 
FT-0771938 
B-1375 
(S)-3-piperazin-1-yl-pyrrolidine-1-carboxylic acid tert-butyl ester 
1-Pyrrolidinecarboxylic acid, 3-(1-piperazinyl)-, 1,1-dimethylethyl ester, (3S)- 
(S)-tert-butyl 3-(piperazin-1-yl) pyrrolidine-1-carboxylate 
AK141536 
(S)-1-N-Boc-3-(piperazin-1-yl)pyrrolidine 
SCHEMBL640812 
KS-00000RUV 
HCNFKJFDUHUDTA-NSHDSACASA-N 
MFCD18633366 
ZINC65336807 
AKOS007930573 
Literature
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