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1217812-89-9 | 1-Piperazinecarboxylic acid, 3-methyl-, phenylmethyl ester, hydrochloride (1:1), (3S)-
CAS No: 1217812-89-9 Catalog No: AG001602 MDL No:MFCD11101282
Product Description
Catalog Number:
AG001602
Chemical Name:
1-Piperazinecarboxylic acid, 3-methyl-, phenylmethyl ester, hydrochloride (1:1), (3S)-
CAS Number:
1217812-89-9
Molecular Formula:
C13H19ClN2O2
Molecular Weight:
270.7552
MDL Number:
MFCD11101282
IUPAC Name:
benzyl (3S)-3-methylpiperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C13H18N2O2.ClH/c1-11-9-15(8-7-14-11)13(16)17-10-12-5-3-2-4-6-12;/h2-6,11,14H,7-10H2,1H3;1H/t11-;/m0./s1
InChI Key:
LDHODTYPYWKFPS-MERQFXBCSA-N
SMILES:
C[C@@H]1NCCN(C1)C(=O)OCc1ccccc1.Cl
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
270.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.757g/mol
Monoisotopic Mass:
270.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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