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113534-02-4

113534-02-4 | 1-Piperazinecarboxylic acid, 4-cyano-, 1,1-dimethylethyl ester

CAS No: 113534-02-4 Catalog No: AG0008X9 MDL No:MFCD09029184

Product Description

Catalog Number:
AG0008X9
Chemical Name:
1-Piperazinecarboxylic acid, 4-cyano-, 1,1-dimethylethyl ester
CAS Number:
113534-02-4
Molecular Formula:
C10H17N3O2
Molecular Weight:
211.2609
MDL Number:
MFCD09029184
IUPAC Name:
tert-butyl 4-cyanopiperazine-1-carboxylate
InChI:
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-6-4-12(8-11)5-7-13/h4-7H2,1-3H3
InChI Key:
GDPSCFYDXPEIEE-UHFFFAOYSA-N
SMILES:
N#CN1CCN(CC1)C(=O)OC(C)(C)C

Properties

Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.132g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.265g/mol
Monoisotopic Mass:
211.132g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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