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116030-76-3 | Phenol, 2-methyl-, compd. with [1,1'-biphenyl]-4,4'-diamine (2:1)
CAS No: 116030-76-3 Catalog No: AG000BG6 MDL No:
Product Description
Catalog Number:
AG000BG6
Chemical Name:
Phenol, 2-methyl-, compd. with [1,1'-biphenyl]-4,4'-diamine (2:1)
CAS Number:
116030-76-3
Molecular Formula:
C26H28N2O2
Molecular Weight:
400.5127
IUPAC Name:
4-(4-aminophenyl)aniline;2-methylphenol
InChI:
InChI=1S/C12H12N2.C7H8O/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10;1-6-4-2-3-5-7(6)8/h1-8H,13-14H2;2-5,8H,1H3
InChI Key:
NRFTYXPBPGGKHT-UHFFFAOYSA-N
SMILES:
Cc1ccccc1O.Cc1ccccc1O.Nc1ccc(cc1)c1ccc(cc1)N
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.158g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
292.382g/mol
Monoisotopic Mass:
292.158g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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