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Home > Imidazoles > 89038-31-3
89038-31-3 | 1,2-Propanediol, 3,3'-[[3-(1H-imidazol-1-yl)propyl]imino]bis-
CAS No: 89038-31-3 Catalog No: AG0087YA MDL No:
Product Description
Catalog Number:
AG0087YA
Chemical Name:
1,2-Propanediol, 3,3'-[[3-(1H-imidazol-1-yl)propyl]imino]bis-
CAS Number:
89038-31-3
Molecular Formula:
C12H23N3O4
Molecular Weight:
273.3287
IUPAC Name:
3-[2,3-dihydroxypropyl(3-imidazol-1-ylpropyl)amino]propane-1,2-diol
InChI:
InChI=1S/C12H23N3O4/c16-8-11(18)6-15(7-12(19)9-17)4-1-3-14-5-2-13-10-14/h2,5,10-12,16-19H,1,3-4,6-9H2
InChI Key:
RJKMKVZDJZXAQD-UHFFFAOYSA-N
SMILES:
OCC(CN(CC(CO)O)CCCn1cncc1)O
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.169g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
273.333g/mol
Monoisotopic Mass:
273.169g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.3
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