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1240583-48-5 | 1-Piperazinecarboxylic acid, 2-phenyl-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1240583-48-5 Catalog No: AG000LGD MDL No:MFCD08685943
Product Description
Catalog Number:
AG000LGD
Chemical Name:
1-Piperazinecarboxylic acid, 2-phenyl-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1240583-48-5
Molecular Formula:
C15H22N2O2
Molecular Weight:
262.3474
MDL Number:
MFCD08685943
IUPAC Name:
tert-butyl (2S)-2-phenylpiperazine-1-carboxylate
InChI:
InChI=1S/C15H22N2O2/c1-15(2,3)19-14(18)17-10-9-16-11-13(17)12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3/t13-/m1/s1
InChI Key:
DVOURBIBCQYVCC-CYBMUJFWSA-N
SMILES:
O=C(N1CCNC[C@@H]1c1ccccc1)OC(C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
262.168g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.353g/mol
Monoisotopic Mass:
262.168g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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