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117009-98-0 | 1-Piperazinecarboxylic acid, 4-(3-aminopropyl)-, phenylmethyl ester
CAS No: 117009-98-0 Catalog No: AG000DJU MDL No:
Product Description
Catalog Number:
AG000DJU
Chemical Name:
1-Piperazinecarboxylic acid, 4-(3-aminopropyl)-, phenylmethyl ester
CAS Number:
117009-98-0
Molecular Formula:
C15H23N3O2
Molecular Weight:
277.3620
IUPAC Name:
benzyl 4-(3-aminopropyl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H23N3O2/c16-7-4-8-17-9-11-18(12-10-17)15(19)20-13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13,16H2
InChI Key:
BNRXWVARIROIGZ-UHFFFAOYSA-N
SMILES:
NCCCN1CCN(CC1)C(=O)OCc1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.179g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.368g/mol
Monoisotopic Mass:
277.179g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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