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1179361-53-5 | 1-Piperazinecarboxylic acid, 2-propyl-, phenylmethyl ester, hydrochloride (1:1)
CAS No: 1179361-53-5 Catalog No: AG000I3K MDL No:MFCD11101340
Product Description
Catalog Number:
AG000I3K
Chemical Name:
1-Piperazinecarboxylic acid, 2-propyl-, phenylmethyl ester, hydrochloride (1:1)
CAS Number:
1179361-53-5
Molecular Formula:
C15H23ClN2O2
Molecular Weight:
298.8083
MDL Number:
MFCD11101340
IUPAC Name:
benzyl 2-propylpiperazine-1-carboxylate;hydrochloride
InChI:
InChI=1S/C15H22N2O2.ClH/c1-2-6-14-11-16-9-10-17(14)15(18)19-12-13-7-4-3-5-8-13;/h3-5,7-8,14,16H,2,6,9-12H2,1H3;1H
InChI Key:
ZKELFSSEDAZDDR-UHFFFAOYSA-N
SMILES:
CCCC1CNCCN1C(=O)OCc1ccccc1.Cl
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.145g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
298.811g/mol
Monoisotopic Mass:
298.145g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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