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3081-16-1 | 1,4-Benzenediamine, N1-(1-methylethyl)-N4-(4-methylphenyl)-
CAS No: 3081-16-1 Catalog No: AG0031CW MDL No:
Product Description
Catalog Number:
AG0031CW
Chemical Name:
1,4-Benzenediamine, N1-(1-methylethyl)-N4-(4-methylphenyl)-
CAS Number:
3081-16-1
Molecular Formula:
C16H20N2
Molecular Weight:
240.3434
IUPAC Name:
1-N-(4-methylphenyl)-4-N-propan-2-ylbenzene-1,4-diamine
InChI:
InChI=1S/C16H20N2/c1-12(2)17-14-8-10-16(11-9-14)18-15-6-4-13(3)5-7-15/h4-12,17-18H,1-3H3
InChI Key:
BOBISXUJAGFZJK-UHFFFAOYSA-N
SMILES:
CC(Nc1ccc(cc1)Nc1ccc(cc1)C)C
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.163g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.35g/mol
Monoisotopic Mass:
240.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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