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89039-87-2 | Benzenemethanaminium, N,N,N-triethyl-, sulfate (1:1)
CAS No: 89039-87-2 Catalog No: AG0043BW MDL No:
Product Description
Catalog Number:
AG0043BW
Chemical Name:
Benzenemethanaminium, N,N,N-triethyl-, sulfate (1:1)
CAS Number:
89039-87-2
Molecular Formula:
C13H23NO4S
Molecular Weight:
289.3910
IUPAC Name:
benzyl(triethyl)azanium;hydrogen sulfate
InChI:
InChI=1S/C13H22N.H2O4S/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;1-5(2,3)4/h7-11H,4-6,12H2,1-3H3;(H2,1,2,3,4)/q+1;/p-1
InChI Key:
MEPLDDAONLVHEF-UHFFFAOYSA-M
SMILES:
[O-]S(=O)(=O)O.CC[N+](Cc1ccccc1)(CC)CC
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.135g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.39g/mol
Monoisotopic Mass:
289.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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