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85117-90-4 | 1,6-Hexanediaminium,N1,N1,N6,N6-tetrakis(2-hydroxypropyl)-N1,N6-dimethyl-, chloride (1:2)
CAS No: 85117-90-4 Catalog No: AG004O4O MDL No:
Product Description
Catalog Number:
AG004O4O
Chemical Name:
1,6-Hexanediaminium,N1,N1,N6,N6-tetrakis(2-hydroxypropyl)-N1,N6-dimethyl-, chloride (1:2)
CAS Number:
85117-90-4
Molecular Formula:
C20H46Cl2N2O4
Molecular Weight:
449.4962
IUPAC Name:
6-[bis(2-hydroxypropyl)-methylazaniumyl]hexyl-bis(2-hydroxypropyl)-methylazanium;dichloride
InChI:
InChI=1S/C20H46N2O4.2ClH/c1-17(23)13-21(5,14-18(2)24)11-9-7-8-10-12-22(6,15-19(3)25)16-20(4)26;;/h17-20,23-26H,7-16H2,1-6H3;2*1H/q+2;;/p-2
InChI Key:
SRLABNGABZFTJO-UHFFFAOYSA-L
SMILES:
CC(C[N+](CC(O)C)(CCCCCC[N+](CC(O)C)(CC(O)C)C)C)O.[Cl-].[Cl-]
EC Number:
285-641-6
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.283g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
449.498g/mol
Monoisotopic Mass:
448.283g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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