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28795-50-8 | 2-Piperazinemethanol
CAS No: 28795-50-8 Catalog No: AG002WIU MDL No:MFCD07772088
Product Description
Catalog Number:
AG002WIU
Chemical Name:
2-Piperazinemethanol
CAS Number:
28795-50-8
Molecular Formula:
C5H12N2O
Molecular Weight:
116.1616
MDL Number:
MFCD07772088
IUPAC Name:
piperazin-2-ylmethanol
InChI:
InChI=1S/C5H12N2O/c8-4-5-3-6-1-2-7-5/h5-8H,1-4H2
InChI Key:
SIRSTRHGFGFVME-UHFFFAOYSA-N
SMILES:
OCC1CNCCN1
Properties
Complexity:
67.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.095g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
116.164g/mol
Monoisotopic Mass:
116.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Literature
| Title | Journal |
|---|---|
| Chiral, nonracemic (piperazin-2-yl)methanol derivatives with sigma-receptor affinity. | Bioorganic & medicinal chemistry 20040615 |
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