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99769-12-7 | 2-(2,5-DIMETHYLPIPERAZIN-1-YL)ETHANOL
CAS No: 99769-12-7 Catalog No: AG004X85 MDL No:MFCD18072992
Product Description
Catalog Number:
AG004X85
Chemical Name:
2-(2,5-DIMETHYLPIPERAZIN-1-YL)ETHANOL
CAS Number:
99769-12-7
Molecular Formula:
C8H18N2O
Molecular Weight:
158.2413
MDL Number:
MFCD18072992
IUPAC Name:
2-(2,5-dimethylpiperazin-1-yl)ethanol
InChI:
InChI=1S/C8H18N2O/c1-7-6-10(3-4-11)8(2)5-9-7/h7-9,11H,3-6H2,1-2H3
InChI Key:
DEMJSCKEDLLJBK-UHFFFAOYSA-N
SMILES:
CC1CNC(CN1CCO)C
NSC Number:
87101
Properties
Complexity:
119
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.142g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.245g/mol
Monoisotopic Mass:
158.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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