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7672-76-6 | alpha,alpha-Dimethylpiperazine-1,4-diethanol
CAS No: 7672-76-6 Catalog No: AG005IIS MDL No:
Product Description
Catalog Number:
AG005IIS
Chemical Name:
alpha,alpha-Dimethylpiperazine-1,4-diethanol
CAS Number:
7672-76-6
Molecular Formula:
C10H22N2O2
Molecular Weight:
202.2939
IUPAC Name:
1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-2-ol
InChI:
InChI=1S/C10H22N2O2/c1-9(13)7-11-3-5-12(6-4-11)8-10(2)14/h9-10,13-14H,3-8H2,1-2H3
InChI Key:
ZRMOLCPODIMNPJ-UHFFFAOYSA-N
SMILES:
OCCN1CCN(CC1)CC(O)(C)C
EC Number:
231-646-3
NSC Number:
86980
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.168g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.298g/mol
Monoisotopic Mass:
202.168g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| 1,1'-(Piperazine-1,4-di-yl)dipropan-2-ol. | Acta crystallographica. Section E, Structure reports online 20110701 |
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