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86723-76-4 | 1,2-Benzenediamine, 4,5-diheptyl-
CAS No: 86723-76-4 Catalog No: AG004T1X MDL No:
Product Description
Catalog Number:
AG004T1X
Chemical Name:
1,2-Benzenediamine, 4,5-diheptyl-
CAS Number:
86723-76-4
Molecular Formula:
C20H36N2
Molecular Weight:
304.5132
IUPAC Name:
4,5-diheptylbenzene-1,2-diamine
InChI:
InChI=1S/C20H36N2/c1-3-5-7-9-11-13-17-15-19(21)20(22)16-18(17)14-12-10-8-6-4-2/h15-16H,3-14,21-22H2,1-2H3
InChI Key:
QYBQLNRKEMHDNR-UHFFFAOYSA-N
SMILES:
CCCCCCCc1cc(N)c(cc1CCCCCCC)N
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.288g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
304.522g/mol
Monoisotopic Mass:
304.288g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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