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56173-18-3 molecular structure
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1-[2-(propan-2-ylidene)hydrazin-1-yl]phthalazine

ChemBase ID: 158969
Molecular Formular: C11H12N4
Molecular Mass: 200.23978
Monoisotopic Mass: 200.1061964
SMILES and InChIs

SMILES:
c1ccc2c(c1)c(nnc2)NN=C(C)C
Canonical SMILES:
CC(=NNc1nncc2c1cccc2)C
InChI:
InChI=1S/C11H12N4/c1-8(2)13-15-11-10-6-4-3-5-9(10)7-12-14-11/h3-7H,1-2H3,(H,14,15)
InChIKey:
AKFJXINWDQGPHO-UHFFFAOYSA-N

Cite this record

CBID:158969 http://www.chembase.cn/molecule-158969.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[2-(propan-2-ylidene)hydrazin-1-yl]phthalazine
IUPAC Traditional name
1-[2-(propan-2-ylidene)hydrazin-1-yl]phthalazine
Synonyms
1(2H)-Phthalazinone (1-Methylethylidene)hydrazone
HAH
Hydralazine Acetone Azine
Hydralazine Acetone Hydrazone
Acetone Hydralazine Hydrazone
ACETONE PHTHALAZIN-1-YL-HYDRAZONE
CAS Number
56173-18-3
PubChem SID
162253104
PubChem CID
41772

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 41772 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.418641  H Acceptors
H Donor LogD (pH = 5.5) 1.5165203 
LogD (pH = 7.4) 1.5720611  Log P 1.6076363 
Molar Refractivity 62.4026 cm3 Polarizability 23.460087 Å3
Polar Surface Area 50.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Chloroform expand Show data source
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Dark Yellow Solid expand Show data source
Melting Point
99-102°C expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Purity
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A163875 external link
A major metabolite of Hydralazine (H716531).

REFERENCES

REFERENCES

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  • • Criscione, L., et al.: J. Cardiov. Pharmacol., 8, 420 (1986)
  • • Lessen, T., et al.: J. Pharm. Sci., 85, 326 (1986)
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PATENTS

PATENTS

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INTERNET

INTERNET

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