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1020718-95-9 | 5,6-Quinolinediamine, N6-(methyl-d3)-
CAS No: 1020718-95-9 Catalog No: AG0006IP MDL No:
Product Description
Catalog Number:
AG0006IP
Chemical Name:
5,6-Quinolinediamine, N6-(methyl-d3)-
CAS Number:
1020718-95-9
Molecular Formula:
C10H8D3N3
Molecular Weight:
176.2329
IUPAC Name:
6-N-(trideuteriomethyl)quinoline-5,6-diamine
InChI:
InChI=1S/C10H11N3/c1-12-9-5-4-8-7(10(9)11)3-2-6-13-8/h2-6,12H,11H2,1H3/i1D3
InChI Key:
VKTBLHRTAVWXIJ-FIBGUPNXSA-N
SMILES:
Nc1c(ccc2c1cccn2)NC([2H])([2H])[2H]
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.114g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
3
Molecular Weight:
176.237g/mol
Monoisotopic Mass:
176.114g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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