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137374-00-6 | Benzenamine, 2-ethyl-6-methyl-, sulfate (2:1)
CAS No: 137374-00-6 Catalog No: AG00137H MDL No:
Product Description
Catalog Number:
AG00137H
Chemical Name:
Benzenamine, 2-ethyl-6-methyl-, sulfate (2:1)
CAS Number:
137374-00-6
Molecular Formula:
C18H28N2O4S
Molecular Weight:
368.4909
IUPAC Name:
2-ethyl-6-methylaniline;sulfuric acid
InChI:
InChI=1S/2C9H13N.H2O4S/c2*1-3-8-6-4-5-7(2)9(8)10;1-5(2,3)4/h2*4-6H,3,10H2,1-2H3;(H2,1,2,3,4)
InChI Key:
ZGDFDLMFTZCNAF-UHFFFAOYSA-N
SMILES:
OS(=O)(=O)O.CCc1cccc(c1N)C.CCc1cccc(c1N)C
Properties
Complexity:
182
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:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
368.492g/mol
Monoisotopic Mass:
368.177g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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