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1219153-60-2 | 1,3-Piperazinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester, hydrochloride (1:1)
CAS No: 1219153-60-2 Catalog No: AG0016E8 MDL No:MFCD11101376
Product Description
Catalog Number:
AG0016E8
Chemical Name:
1,3-Piperazinedicarboxylic acid, 3-methyl 1-(phenylmethyl) ester, hydrochloride (1:1)
CAS Number:
1219153-60-2
Molecular Formula:
C14H19ClN2O4
Molecular Weight:
314.7647
MDL Number:
MFCD11101376
IUPAC Name:
1-O-benzyl 3-O-methyl piperazine-1,3-dicarboxylate;hydrochloride
InChI:
InChI=1S/C14H18N2O4.ClH/c1-19-13(17)12-9-16(8-7-15-12)14(18)20-10-11-5-3-2-4-6-11;/h2-6,12,15H,7-10H2,1H3;1H
InChI Key:
KBTDRWBNFLCGPG-UHFFFAOYSA-N
SMILES:
COC(=O)C1NCCN(C1)C(=O)OCc1ccccc1.Cl
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.103g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.766g/mol
Monoisotopic Mass:
314.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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