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1217779-31-1 | 1-Piperazinecarboxylic acid, 3-(phenylmethyl)-, phenylmethyl ester, hydrochloride (1:1), (3S)-
CAS No: 1217779-31-1 Catalog No: AG0015Y6 MDL No:MFCD11101277
Product Description
Catalog Number:
AG0015Y6
Chemical Name:
1-Piperazinecarboxylic acid, 3-(phenylmethyl)-, phenylmethyl ester, hydrochloride (1:1), (3S)-
CAS Number:
1217779-31-1
Molecular Formula:
C19H23ClN2O2
Molecular Weight:
346.8511
MDL Number:
MFCD11101277
IUPAC Name:
benzyl (3S)-3-benzylpiperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C19H22N2O2.ClH/c22-19(23-15-17-9-5-2-6-10-17)21-12-11-20-18(14-21)13-16-7-3-1-4-8-16;/h1-10,18,20H,11-15H2;1H/t18-;/m0./s1
InChI Key:
KQHBPBYETAJYMS-FERBBOLQSA-N
SMILES:
O=C(N1CCN[C@H](C1)Cc1ccccc1)OCc1ccccc1.Cl
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
346.145g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.855g/mol
Monoisotopic Mass:
346.145g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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