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85117-93-7 | 1,6-Hexanediaminium,N1,N1,N6,N6-tetrakis(2-hydroxyethyl)-N1,N6-dimethyl-, chloride (1:2)
CAS No: 85117-93-7 Catalog No: AG004XCD MDL No:
Product Description
Catalog Number:
AG004XCD
Chemical Name:
1,6-Hexanediaminium,N1,N1,N6,N6-tetrakis(2-hydroxyethyl)-N1,N6-dimethyl-, chloride (1:2)
CAS Number:
85117-93-7
Molecular Formula:
C16H38Cl2N2O4
Molecular Weight:
393.3899
IUPAC Name:
6-[bis(2-hydroxyethyl)-methylazaniumyl]hexyl-bis(2-hydroxyethyl)-methylazanium;dichloride
InChI:
InChI=1S/C16H38N2O4.2ClH/c1-17(9-13-19,10-14-20)7-5-3-4-6-8-18(2,11-15-21)12-16-22;;/h19-22H,3-16H2,1-2H3;2*1H/q+2;;/p-2
InChI Key:
IHVSQBNDJWNQNE-UHFFFAOYSA-L
SMILES:
OCC[N+](CCO)(CCCCCC[N+](CCO)(CCO)C)C.[Cl-].[Cl-]
EC Number:
285-644-2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.221g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
393.39g/mol
Monoisotopic Mass:
392.221g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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