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1217710-12-7 | 1-Piperidinecarboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1217710-12-7 Catalog No: AG0015X5 MDL No:MFCD08272979
Product Description
Catalog Number:
AG0015X5
Chemical Name:
1-Piperidinecarboxylic acid, 3-(cyanomethyl)-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1217710-12-7
Molecular Formula:
C12H20N2O2
Molecular Weight:
224.2994
MDL Number:
MFCD08272979
IUPAC Name:
tert-butyl (3S)-3-(cyanomethyl)piperidine-1-carboxylate
InChI:
InChI=1S/C12H20N2O2/c1-12(2,3)16-11(15)14-8-4-5-10(9-14)6-7-13/h10H,4-6,8-9H2,1-3H3/t10-/m0/s1
InChI Key:
RWAQULYYWNUYFH-JTQLQIEISA-N
SMILES:
N#CC[C@@H]1CCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
224.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.304g/mol
Monoisotopic Mass:
224.152g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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