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81819-90-1 | 3-Pyridazinamine,4-methyl-6-phenyl-
CAS No: 81819-90-1 Catalog No: AG0050CH MDL No:
Product Description
Catalog Number:
AG0050CH
Chemical Name:
3-Pyridazinamine,4-methyl-6-phenyl-
CAS Number:
81819-90-1
Molecular Formula:
C11H11N3
Molecular Weight:
185.2251
IUPAC Name:
4-methyl-6-phenylpyridazin-3-amine
InChI:
InChI=1S/C11H11N3/c1-8-7-10(13-14-11(8)12)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,14)
InChI Key:
JZUHYRSDTPCHRR-UHFFFAOYSA-N
SMILES:
Cc1cc(nnc1N)c1ccccc1
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.095g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.23g/mol
Monoisotopic Mass:
185.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Molecular properties and CYP2D6 substrates: central nervous system therapeutics case study and pattern analysis of a substrate database. | Drug metabolism and disposition: the biological fate of chemicals 20091101 |
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