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68039-51-0 | 4,4'-DIAMINO-4'-ANILINOTRITYL ALCOHOL
CAS No: 68039-51-0 Catalog No: AG006GDX MDL No:
Product Description
Catalog Number:
AG006GDX
Chemical Name:
4,4'-DIAMINO-4'-ANILINOTRITYL ALCOHOL
CAS Number:
68039-51-0
Molecular Formula:
C25H25N3O
Molecular Weight:
383.4855
IUPAC Name:
bis(4-aminophenyl)-(4-anilinophenyl)methanol
InChI:
InChI=1S/C25H23N3O/c26-21-12-6-18(7-13-21)25(29,19-8-14-22(27)15-9-19)20-10-16-24(17-11-20)28-23-4-2-1-3-5-23/h1-17,28-29H,26-27H2
InChI Key:
PKYBTWMTSARYJR-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C(c1ccccc1)(C1=CCC(C=C1)(N)Nc1ccccc1)O
EC Number:
268-265-7
Properties
Complexity:
460
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.184g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
381.479g/mol
Monoisotopic Mass:
381.184g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
84.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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