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89038-29-9

89038-29-9 | 1,2-Propanediol, 3-[[3-(4-methyl-1-piperazinyl)propyl]amino]-

CAS No: 89038-29-9 Catalog No: AG004283 MDL No:

Product Description

Catalog Number:
AG004283
Chemical Name:
1,2-Propanediol, 3-[[3-(4-methyl-1-piperazinyl)propyl]amino]-
CAS Number:
89038-29-9
Molecular Formula:
C11H25N3O2
Molecular Weight:
231.3351
IUPAC Name:
3-[3-(4-methylpiperazin-1-yl)propylamino]propane-1,2-diol
InChI:
InChI=1S/C11H25N3O2/c1-13-5-7-14(8-6-13)4-2-3-12-9-11(16)10-15/h11-12,15-16H,2-10H2,1H3
InChI Key:
JTTRNVAXFKCDGV-UHFFFAOYSA-N
SMILES:
OCC(CNCCCN1CCN(CC1)C)O

Properties

Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.195g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
231.34g/mol
Monoisotopic Mass:
231.195g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3  

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