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14034-65-2 | 1-Naphthalenamine, 4-methylbenzenesulfonate (1:1)
CAS No: 14034-65-2 Catalog No: AG001C9H MDL No:
Product Description
Catalog Number:
AG001C9H
Chemical Name:
1-Naphthalenamine, 4-methylbenzenesulfonate (1:1)
CAS Number:
14034-65-2
Molecular Formula:
C17H17NO3S
Molecular Weight:
315.3868
IUPAC Name:
4-methylbenzenesulfonic acid;naphthalen-1-amine
InChI:
InChI=1S/C10H9N.C7H8O3S/c11-10-7-3-5-8-4-1-2-6-9(8)10;1-6-2-4-7(5-3-6)11(8,9)10/h1-7H,11H2;2-5H,1H3,(H,8,9,10)
InChI Key:
CTNHVYBUMYKLCV-UHFFFAOYSA-N
SMILES:
Nc1cccc2c1cccc2.Cc1ccc(cc1)S(=O)(=O)O
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.093g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
315.387g/mol
Monoisotopic Mass:
315.093g/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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