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304-20-1 molecular structure
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1-hydrazinylidene-1,8a-dihydrophthalazine hydrochloride

ChemBase ID: 103308
Molecular Formular: C8H9ClN4
Molecular Mass: 196.63686
Monoisotopic Mass: 196.05157399
SMILES and InChIs

SMILES:
Cl.N/N=C\1/N=NC=C2C=CC=CC12
Canonical SMILES:
N/N=C\1/N=NC=C2C1C=CC=C2.Cl
InChI:
InChI=1S/C8H8N4.ClH/c9-11-8-7-4-2-1-3-6(7)5-10-12-8;/h1-5,7H,9H2;1H
InChIKey:
SECXUXOCDLQOBI-UHFFFAOYSA-N

Cite this record

CBID:103308 http://www.chembase.cn/molecule-103308.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-hydrazinylidene-1,8a-dihydrophthalazine hydrochloride
IUPAC Traditional name
1-hydrazinylidene-8aH-phthalazine hydrochloride
Synonyms
1-Hydrazinophthalazine hydrochloride
Apresoline
HYDRALAZINE
CAS Number
304-20-1
EC Number
206-151-0
PubChem SID
162090358
PubChem CID
71299680

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02151278 external link Add to cart Please log in.
Data Source Data ID
PubChem 71299680 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.599264  H Acceptors
H Donor LogD (pH = 5.5) 0.017655293 
LogD (pH = 7.4) 0.017655833  Log P 0.017655838 
Molar Refractivity 49.4817 cm3 Polarizability 17.13262 Å3
Polar Surface Area 63.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
280-282°C (dec.) expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
TH9000000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
R:22 expand Show data source
Safety Statements
S:36/37/39 expand Show data source
EU Classification
T2 expand Show data source
EU Hazard Identification Number
6.1B expand Show data source
Emergency Response Guidebook(ERG) Number
154 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02151278 external link
Hydrochloride
Crystalline
Monoamine Oxidase inhibitor

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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