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102520-37-6 | Ethanamine, 4-methylbenzenesulfonate (1:1)
CAS No: 102520-37-6 Catalog No: AG0007NF MDL No:
Product Description
Catalog Number:
AG0007NF
Chemical Name:
Ethanamine, 4-methylbenzenesulfonate (1:1)
CAS Number:
102520-37-6
Molecular Formula:
C9H15NO3S
Molecular Weight:
217.2853
IUPAC Name:
ethanamine;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C7H8O3S.C2H7N/c1-6-2-4-7(5-3-6)11(8,9)10;1-2-3/h2-5H,1H3,(H,8,9,10);2-3H2,1H3
InChI Key:
SPWQZXFBGZCHIU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.CCN
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.283g/mol
Monoisotopic Mass:
217.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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