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113447-89-5 | 1,4-Benzenediamine, N1-(4-aminophenyl)-N1-[(4-aminophenyl)methyl]-
CAS No: 113447-89-5 Catalog No: AG0008MU MDL No:
Product Description
Catalog Number:
AG0008MU
Chemical Name:
1,4-Benzenediamine, N1-(4-aminophenyl)-N1-[(4-aminophenyl)methyl]-
CAS Number:
113447-89-5
Molecular Formula:
C19H20N4
Molecular Weight:
304.3889
IUPAC Name:
4-N-(4-aminophenyl)-4-N-[(4-aminophenyl)methyl]benzene-1,4-diamine
InChI:
InChI=1S/C19H20N4/c20-15-3-1-14(2-4-15)13-23(18-9-5-16(21)6-10-18)19-11-7-17(22)8-12-19/h1-12H,13,20-22H2
InChI Key:
BJNDJOGCEISXAG-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CN(c1ccc(cc1)N)c1ccc(cc1)N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.169g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
304.397g/mol
Monoisotopic Mass:
304.169g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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