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1159825-20-3 | 1-Piperazinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 1159825-20-3 Catalog No: AG000HBT MDL No:MFCD11101374
Product Description
Catalog Number:
AG000HBT
Chemical Name:
1-Piperazinecarboxylic acid, 3-(hydroxymethyl)-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
1159825-20-3
Molecular Formula:
C13H19ClN2O3
Molecular Weight:
286.7546
MDL Number:
MFCD11101374
IUPAC Name:
benzyl 3-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C13H18N2O3.ClH/c16-9-12-8-15(7-6-14-12)13(17)18-10-11-4-2-1-3-5-11;/h1-5,12,14,16H,6-10H2;1H
InChI Key:
YVHVEHPWNMUIKO-UHFFFAOYSA-N
SMILES:
OCC1NCCN(C1)C(=O)OCc1ccccc1.Cl
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.108g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
286.756g/mol
Monoisotopic Mass:
286.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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