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28891-89-6 | Benzenaminium, N,N,N-trimethyl-, sulfate (2:1)
CAS No: 28891-89-6 Catalog No: AG002WZ1 MDL No:
Product Description
Catalog Number:
AG002WZ1
Chemical Name:
Benzenaminium, N,N,N-trimethyl-, sulfate (2:1)
CAS Number:
28891-89-6
Molecular Formula:
C18H28N2O4S
Molecular Weight:
368.4909
IUPAC Name:
trimethyl(phenyl)azanium;sulfate
InChI:
InChI=1S/2C9H14N.H2O4S/c2*1-10(2,3)9-7-5-4-6-8-9;1-5(2,3)4/h2*4-8H,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2
InChI Key:
SKHXPVCYLIQGKF-UHFFFAOYSA-L
SMILES:
C[N+](c1ccccc1)(C)C.C[N+](c1ccccc1)(C)C.[O-]S(=O)(=O)[O-]
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.177g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
368.492g/mol
Monoisotopic Mass:
368.177g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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