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177338-20-4 | 2-Propanol, 1,3-bis[[(1-methyl-1H-imidazol-2-yl)methyl]amino]-
CAS No: 177338-20-4 Catalog No: AG002594 MDL No:
Product Description
Catalog Number:
AG002594
Chemical Name:
2-Propanol, 1,3-bis[[(1-methyl-1H-imidazol-2-yl)methyl]amino]-
CAS Number:
177338-20-4
Molecular Formula:
C13H22N6O
Molecular Weight:
278.3534
IUPAC Name:
1,3-bis[(1-methylimidazol-2-yl)methylamino]propan-2-ol
InChI:
InChI=1S/C13H22N6O/c1-18-5-3-16-12(18)9-14-7-11(20)8-15-10-13-17-4-6-19(13)2/h3-6,11,14-15,20H,7-10H2,1-2H3
InChI Key:
UKVVVMMRVAYXMP-UHFFFAOYSA-N
SMILES:
OC(CNCc1nccn1C)CNCc1nccn1C
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.186g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
278.36g/mol
Monoisotopic Mass:
278.186g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
79.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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