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161683-15-4 | 1-Piperazinecarboxylic acid, 4-amino-, phenylmethyl ester
CAS No: 161683-15-4 Catalog No: AG001VSK MDL No:
Product Description
Catalog Number:
AG001VSK
Chemical Name:
1-Piperazinecarboxylic acid, 4-amino-, phenylmethyl ester
CAS Number:
161683-15-4
Molecular Formula:
C12H17N3O2
Molecular Weight:
235.2823
IUPAC Name:
benzyl 4-aminopiperazine-1-carboxylate
InChI:
InChI=1S/C12H17N3O2/c13-15-8-6-14(7-9-15)12(16)17-10-11-4-2-1-3-5-11/h1-5H,6-10,13H2
InChI Key:
RXPNZFUBAPITJA-UHFFFAOYSA-N
SMILES:
NN1CCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.132g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.287g/mol
Monoisotopic Mass:
235.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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