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86723-74-2 | 1,2-Benzenediamine, 4,5-dipentyl-
CAS No: 86723-74-2 Catalog No: AG004NGB MDL No:
Product Description
Catalog Number:
AG004NGB
Chemical Name:
1,2-Benzenediamine, 4,5-dipentyl-
CAS Number:
86723-74-2
Molecular Formula:
C16H28N2
Molecular Weight:
248.4069
IUPAC Name:
4,5-dipentylbenzene-1,2-diamine
InChI:
InChI=1S/C16H28N2/c1-3-5-7-9-13-11-15(17)16(18)12-14(13)10-8-6-4-2/h11-12H,3-10,17-18H2,1-2H3
InChI Key:
HVNBBNMPAQWFCW-UHFFFAOYSA-N
SMILES:
CCCCCc1cc(N)c(cc1CCCCC)N
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.225g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.414g/mol
Monoisotopic Mass:
248.225g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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