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132132-21-9 | 1,2-Butanediol, 4-(4-methyl-1-piperazinyl)-
CAS No: 132132-21-9 Catalog No: AG00109I MDL No:
Product Description
Catalog Number:
AG00109I
Chemical Name:
1,2-Butanediol, 4-(4-methyl-1-piperazinyl)-
CAS Number:
132132-21-9
Molecular Formula:
C9H20N2O2
Molecular Weight:
188.2673
IUPAC Name:
4-(4-methylpiperazin-1-yl)butane-1,2-diol
InChI:
InChI=1S/C9H20N2O2/c1-10-4-6-11(7-5-10)3-2-9(13)8-12/h9,12-13H,2-8H2,1H3
InChI Key:
NFOPFURNJJEVPZ-UHFFFAOYSA-N
SMILES:
OCC(CCN1CCN(CC1)C)O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.152g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
188.271g/mol
Monoisotopic Mass:
188.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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