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28462-80-8 | 1-Propanaminium, N,N,N-tripropyl-, sulfate (2:1)
CAS No: 28462-80-8 Catalog No: AG002VDJ MDL No:
Product Description
Catalog Number:
AG002VDJ
Chemical Name:
1-Propanaminium, N,N,N-tripropyl-, sulfate (2:1)
CAS Number:
28462-80-8
Molecular Formula:
C24H56N2O4S
Molecular Weight:
468.7774
IUPAC Name:
tetrapropylazanium;sulfate
InChI:
InChI=1S/2C12H28N.H2O4S/c2*1-5-9-13(10-6-2,11-7-3)12-8-4;1-5(2,3)4/h2*5-12H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2
InChI Key:
JYFAUFFZEHJXIM-UHFFFAOYSA-L
SMILES:
[O-]S(=O)(=O)[O-].CCC[N+](CCC)(CCC)CCC.CCC[N+](CCC)(CCC)CCC
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
468.396g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
468.782g/mol
Monoisotopic Mass:
468.396g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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