Basic information
- CAS
14161-35-4- Standard SMILES
NNc1n[nH]c(=O)c2ccccc12- InChIKey
GSXANHNUSCYGEW-UHFFFAOYSA-N- Molecular formula
- C8H8N4O
- Average molar mass
- 176.18 g/mol
- Monoisotopic mass
- 176.06981089
Names & identifiers
- Preferred name
- 1,4-Phthalazinedione, 2,3-dihydro-, monohydrazone
- IUPAC
- 4-hydrazinyl-2H-phthalazin-1-one
- English name
- 4-hydrazinylphthalazin-1(2H)-one
- Molecular formula
- C8H8N4O
- Molecular weight
- 176.18
Names & synonyms
14161-35-41,4-Phthalazinedione, 2,3-dihydro-, monohydrazoneDTXSID701617782,3-Dihydro-1,4-phthalazinedione monohydrazoneRefChem:221049DTXCID10842694-hydrazinylphthalazin-1(2h)-one4-hydrazinyl-2H-phthalazin-1-one4-hydrazinyl-1,2-dihydrophthalazin-1-one4-hydrazineylphthalazin-1(2H)-onehydrazinophthalazinoneNSC724110
Show more names
Dihydralazine impurity 61-Hydrazinophthalazin-4-one1(2H)-Phthalazinone, 4-hydrazinyl-
4-Hydrazino-1-oxo-1,2-dihydrophthalazineDihydralazine Impurity 41-hydrazino-hydroxyphthalazineSCHEMBL19358618GSXANHNUSCYGEW-UHFFFAOYSA-N4-Hydrazino-1(2H)-phthalazinone #AKOS003618646NSC-724110
Database identifiers
- CAS
14161-35-4- PubChem CID
- 167015
- DTXSID
DTXSID70161778- Nikkaji
- J581.403K
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Melting point
- 245 · 245-248 °C(Solvent: Methanol)
- Density
- 1.566 · 1.566±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 12.135 · 12.135±0.20(predicted)
Chemistry & industry
Suppliers7 total
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
北京爱科姆科技有限公司17710328343 · [email protected]
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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