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20610-53-1 | 1-Hexanamine, N,N-dihexyl-, sulfate (2:1)
CAS No: 20610-53-1 Catalog No: AG002AIU MDL No:
Product Description
Catalog Number:
AG002AIU
Chemical Name:
1-Hexanamine, N,N-dihexyl-, sulfate (2:1)
CAS Number:
20610-53-1
Molecular Formula:
C36H80N2O4S
Molecular Weight:
637.0964
IUPAC Name:
N,N-dihexylhexan-1-amine;sulfuric acid
InChI:
InChI=1S/2C18H39N.H2O4S/c2*1-4-7-10-13-16-19(17-14-11-8-5-2)18-15-12-9-6-3;1-5(2,3)4/h2*4-18H2,1-3H3;(H2,1,2,3,4)
InChI Key:
YQLDYKKMZGNACU-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CCCCCCN(CCCCCC)CCCCCC.CCCCCCN(CCCCCC)CCCCCC
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
636.584g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
637.106g/mol
Monoisotopic Mass:
636.584g/mol
Rotatable Bond Count:
30
Topological Polar Surface Area:
89.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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