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116453-96-4 | 1-Naphthalenamine, 4-[2-(2-methylphenyl)diazenyl]-
CAS No: 116453-96-4 Catalog No: AG000CIY MDL No:
Product Description
Catalog Number:
AG000CIY
Chemical Name:
1-Naphthalenamine, 4-[2-(2-methylphenyl)diazenyl]-
CAS Number:
116453-96-4
Molecular Formula:
C17H15N3
Molecular Weight:
261.3211
IUPAC Name:
4-[(2-methylphenyl)diazenyl]naphthalen-1-amine
InChI:
InChI=1S/C17H15N3/c1-12-6-2-5-9-16(12)19-20-17-11-10-15(18)13-7-3-4-8-14(13)17/h2-11H,18H2,1H3
InChI Key:
VBINKHQNBOMLDK-UHFFFAOYSA-N
SMILES:
Cc1ccccc1N=Nc1ccc(c2c1cccc2)N
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.127g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.328g/mol
Monoisotopic Mass:
261.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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