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891782-61-9 | 3-(Piperazin-2-yl)propanoic acid
CAS No: 891782-61-9 Catalog No: AG003WL4 MDL No:MFCD05664021
Product Description
Catalog Number:
AG003WL4
Chemical Name:
3-(Piperazin-2-yl)propanoic acid
CAS Number:
891782-61-9
Molecular Formula:
C7H14N2O2
Molecular Weight:
158.1983
MDL Number:
MFCD05664021
IUPAC Name:
3-piperazin-2-ylpropanoic acid
InChI:
InChI=1S/C7H14N2O2/c10-7(11)2-1-6-5-8-3-4-9-6/h6,8-9H,1-5H2,(H,10,11)
InChI Key:
LQXCKFAKIHBGOZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCC1CNCCN1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.106g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
158.201g/mol
Monoisotopic Mass:
158.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.2
Literature
| Title | Journal |
|---|---|
| Conformationally constrained ethylenediamines: synthesis and receptor binding of 6,8-diazabicyclo[3.2.2]nonanes. | Bioorganic & medicinal chemistry 20020701 |
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