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115870-97-8 | Phenol, 4-[(2-aminophenyl)amino]-2,6-bis(1,1-dimethylethyl)-
CAS No: 115870-97-8 Catalog No: AG000GZ8 MDL No:
Product Description
Catalog Number:
AG000GZ8
Chemical Name:
Phenol, 4-[(2-aminophenyl)amino]-2,6-bis(1,1-dimethylethyl)-
CAS Number:
115870-97-8
Molecular Formula:
C20H28N2O
Molecular Weight:
312.4491
IUPAC Name:
4-(2-aminoanilino)-2,6-ditert-butylphenol
InChI:
InChI=1S/C20H28N2O/c1-19(2,3)14-11-13(12-15(18(14)23)20(4,5)6)22-17-10-8-7-9-16(17)21/h7-12,22-23H,21H2,1-6H3
InChI Key:
XVFYGGGPNDFZHT-UHFFFAOYSA-N
SMILES:
Nc1ccccc1Nc1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.22g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
312.457g/mol
Monoisotopic Mass:
312.22g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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