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148227-95-6 | 2-Piperazinemethanol, 2-acetate
CAS No: 148227-95-6 Catalog No: AG001FIL MDL No:
Product Description
Catalog Number:
AG001FIL
Chemical Name:
2-Piperazinemethanol, 2-acetate
CAS Number:
148227-95-6
Molecular Formula:
C7H14N2O2
Molecular Weight:
158.1983
IUPAC Name:
piperazin-2-ylmethyl acetate
InChI:
InChI=1S/C7H14N2O2/c1-6(10)11-5-7-4-8-2-3-9-7/h7-9H,2-5H2,1H3
InChI Key:
IKDSAXJOPDPJSV-UHFFFAOYSA-N
SMILES:
CC(=O)OCC1CNCCN1
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:
2
Isotope Atom Count:
0
Molecular Weight:
158.201g/mol
Monoisotopic Mass:
158.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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