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189014-58-2 | 2,3-Triphenylenediamine
CAS No: 189014-58-2 Catalog No: AG002HOV MDL No:
Product Description
Catalog Number:
AG002HOV
Chemical Name:
2,3-Triphenylenediamine
CAS Number:
189014-58-2
Molecular Formula:
C18H14N2
Molecular Weight:
258.3172
IUPAC Name:
triphenylene-2,3-diamine
InChI:
InChI=1S/C18H14N2/c19-17-9-15-13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(15)10-18(17)20/h1-10H,19-20H2
InChI Key:
MKWRMJPMPVFGKD-UHFFFAOYSA-N
SMILES:
Nc1cc2c(cc1N)c1ccccc1c1c2cccc1
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.324g/mol
Monoisotopic Mass:
258.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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