| CAS Number | 49837-94-7 |
| Catalog Number | AG01APK1(AGN-PC-0S52CC) |
| Chemical Name | 4-(aminomethyl)-1(2H)-phthalazinone hydrochloride |
| IUPAC Name | 4-(aminomethyl)-2H-phthalazin-1-one;hydrochloride |
| InChI | InChI=1S/C9H9N3O.ClH/c10-5-8-6-3-1-2-4-7(6)9(13)12-11-8;/h1-4H,5,10H2,(H,12,13);1H |
| InChI Key | YXMHMCSNUDFQCQ-UHFFFAOYSA-N |
| MDL Number | MFCD28122930 |
| Molecular Formula | C9H10ClN3O |
| Molecular Weight | 211.6482 |
| SMILES | N1=C(CN)C2=CC=CC=C2C(=O)N1.Cl |
| Synonyms | 4-(aminomethyl)phthalazin-1(2H)-one hydrochloride,
49837-94-7,
SCHEMBL6342244,
YXMHMCSNUDFQCQ-UHFFFAOYSA-N,
AKOS023092578,
MCULE-4970646166,
L-3318,
4-aminomethyl-2H-phthalazin-1-one hydrochloride,
F1923-0054,
4-(aminomethyl)-2H-phthalazin-1-one;hydrochloride,
22370-18-9,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.649g/mol |
| Monoisotopic Mass | 211.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number