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1217599-13-7 | 1-Piperazinecarboxylic acid, 2-(2-methylpropyl)-, 1,1-dimethylethyl ester, (2R)-
CAS No: 1217599-13-7 Catalog No: AG0015TU MDL No:MFCD07772099
Product Description
Catalog Number:
AG0015TU
Chemical Name:
1-Piperazinecarboxylic acid, 2-(2-methylpropyl)-, 1,1-dimethylethyl ester, (2R)-
CAS Number:
1217599-13-7
Molecular Formula:
C13H26N2O2
Molecular Weight:
242.3577
MDL Number:
MFCD07772099
IUPAC Name:
tert-butyl (2R)-2-(2-methylpropyl)piperazine-1-carboxylate
InChI:
InChI=1S/C13H26N2O2/c1-10(2)8-11-9-14-6-7-15(11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3/t11-/m1/s1
InChI Key:
WXGGVOBNOVOVAM-LLVKDONJSA-N
SMILES:
CC(C[C@@H]1CNCCN1C(=O)OC(C)(C)C)C
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
242.199g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.363g/mol
Monoisotopic Mass:
242.199g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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