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177843-80-0 | [1,1'-Biphenyl]-2,3,5-triamine
CAS No: 177843-80-0 Catalog No: AG0025KN MDL No:
Product Description
Catalog Number:
AG0025KN
Chemical Name:
[1,1'-Biphenyl]-2,3,5-triamine
CAS Number:
177843-80-0
Molecular Formula:
C12H13N3
Molecular Weight:
199.2517
IUPAC Name:
6-phenylbenzene-1,2,4-triamine
InChI:
InChI=1S/C12H13N3/c13-9-6-10(12(15)11(14)7-9)8-4-2-1-3-5-8/h1-7H,13-15H2
InChI Key:
YYLDVNJVXOFNEB-UHFFFAOYSA-N
SMILES:
Nc1cc(N)c(c(c1)c1ccccc1)N
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.257g/mol
Monoisotopic Mass:
199.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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