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1217650-60-6 | 1-Piperazinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1217650-60-6 Catalog No: AG0015UR MDL No:MFCD12912183
Product Description
Catalog Number:
AG0015UR
Chemical Name:
1-Piperazinecarboxylic acid, 3-cyano-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1217650-60-6
Molecular Formula:
C10H17N3O2
Molecular Weight:
211.2609
MDL Number:
MFCD12912183
IUPAC Name:
tert-butyl (3S)-3-cyanopiperazine-1-carboxylate
InChI:
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-4-12-8(6-11)7-13/h8,12H,4-5,7H2,1-3H3/t8-/m1/s1
InChI Key:
CBFXRUGJRMBDFG-MRVPVSSYSA-N
SMILES:
N#C[C@H]1NCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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:
1
Isotope Atom Count:
0
Molecular Weight:
211.265g/mol
Monoisotopic Mass:
211.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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