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86723-70-8 | 1,2-Benzenediamine, 4-(heptyloxy)-
CAS No: 86723-70-8 Catalog No: AG004T1Z MDL No:
Product Description
Catalog Number:
AG004T1Z
Chemical Name:
1,2-Benzenediamine, 4-(heptyloxy)-
CAS Number:
86723-70-8
Molecular Formula:
C13H22N2O
Molecular Weight:
222.3266
IUPAC Name:
4-heptoxybenzene-1,2-diamine
InChI:
InChI=1S/C13H22N2O/c1-2-3-4-5-6-9-16-11-7-8-12(14)13(15)10-11/h7-8,10H,2-6,9,14-15H2,1H3
InChI Key:
SIBLNZAGFBMKOP-UHFFFAOYSA-N
SMILES:
CCCCCCCOc1ccc(c(c1)N)N
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.332g/mol
Monoisotopic Mass:
222.173g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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