4-(methylamino)-1,2-dihydrophthalazin-1-one - CAS 13580-90-0
Catalog: |
BB008250 |
Product Name: |
4-(methylamino)-1,2-dihydrophthalazin-1-one |
CAS: |
13580-90-0 |
Synonyms: |
4-(methylamino)-2H-phthalazin-1-one; 4-(methylamino)-2H-phthalazin-1-one |
IUPAC Name: | 4-(methylamino)-2H-phthalazin-1-one |
Description: | 4-(methylamino)-1,2-dihydrophthalazin-1-one (CAS# 13580-90-0 ) is a useful research chemical. |
Molecular Weight: | 175.191 |
Molecular Formula: | C9H9N3O |
Canonical SMILES: | CNC1=NNC(=O)C2=CC=CC=C21 |
InChI: | InChI=1S/C9H9N3O/c1-10-8-6-4-2-3-5-7(6)9(13)12-11-8/h2-5H,1H3,(H,10,11)(H,12,13) |
InChI Key: | RQKCOAINJLUAOM-UHFFFAOYSA-N |
LogP: | 1.03780 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.074561919 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.074561919 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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