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164785-11-9 | 1-Piperazineacetic acid, 4-amino-
CAS No: 164785-11-9 Catalog No: AG001V2Y MDL No:
Product Description
Catalog Number:
AG001V2Y
Chemical Name:
1-Piperazineacetic acid, 4-amino-
CAS Number:
164785-11-9
Molecular Formula:
C6H13N3O2
Molecular Weight:
159.1863
IUPAC Name:
2-(4-aminopiperazin-1-yl)acetic acid
InChI:
InChI=1S/C6H13N3O2/c7-9-3-1-8(2-4-9)5-6(10)11/h1-5,7H2,(H,10,11)
InChI Key:
KYLQGFOJCFBKPB-UHFFFAOYSA-N
SMILES:
NN1CCN(CC1)CC(=O)O
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.101g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
159.189g/mol
Monoisotopic Mass:
159.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.4
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