| CAS Number | 4776-85-6 |
| Catalog Number | AG01BFHM(AGN-PC-0LT20C) |
| Chemical Name | 4-methylphthalazin-1-amine |
| IUPAC Name | 4-methylphthalazin-1-amine |
| InChI | InChI=1S/C9H9N3/c1-6-7-4-2-3-5-8(7)9(10)12-11-6/h2-5H,1H3,(H2,10,12) |
| InChI Key | AQHQGNYQXCIWDG-UHFFFAOYSA-N |
| MDL Number | MFCD00458086 |
| Molecular Formula | C9H9N3 |
| Molecular Weight | 159.1879 |
| SMILES | N=1N=C(C=2C=CC=CC2C1N)C |
| Synonyms | 4-methylphthalazin-1-amine,
4776-85-6,
4-methylphthalazin-1-ylamine,
1-Phthalazinamine, 4-methyl-,
4-methylphthalazinylamine,
AC1O47WK,
Oprea1_500551,
SCHEMBL2578812,
CTK7E1420,
ZINC331969,
SBB087376,
AKOS009542678,
AC-907/34120061,
Z2004547654,
CID6401334,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 159.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 159.192g/mol |
| Monoisotopic Mass | 159.08g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number