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1240586-17-7 | 1-Piperazinecarboxylic acid, 2-cyclopropyl-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1240586-17-7 Catalog No: AG000LHM MDL No:MFCD08686636
Product Description
Catalog Number:
AG000LHM
Chemical Name:
1-Piperazinecarboxylic acid, 2-cyclopropyl-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1240586-17-7
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD08686636
IUPAC Name:
tert-butyl (2S)-2-cyclopropylpiperazine-1-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-6-13-8-10(14)9-4-5-9/h9-10,13H,4-8H2,1-3H3/t10-/m1/s1
InChI Key:
WRKIMEBHYLJNGY-SNVBAGLBSA-N
SMILES:
O=C(N1CCNC[C@@H]1C1CC1)OC(C)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
226.168g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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