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302-15-8 molecular structure
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1-methylhydrazine-1,2-diium sulfate

ChemBase ID: 302176
Molecular Formular: CH8N2O4S
Molecular Mass: 144.15022
Monoisotopic Mass: 144.02047775
SMILES and InChIs

SMILES:
C[NH2+][NH3+].[O-]S(=O)(=O)[O-]
Canonical SMILES:
[O-]S(=O)(=O)[O-].C[NH2+][NH3+]
InChI:
InChI=1S/CH8N2.H2O4S/c1-3-2;1-5(2,3)4/h3H2,1-2H3;(H2,1,2,3,4)/q+2;/p-2
InChIKey:
STJXONHIBZFKHZ-UHFFFAOYSA-L

Cite this record

CBID:302176 http://www.chembase.cn/molecule-302176.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methylhydrazine-1,2-diium sulfate
IUPAC Traditional name
1-methylhydrazine-1,2-diium sulfate
Synonyms
Methylhydrazine sulfate
甲基硫酸肼
CAS Number
302-15-8
EC Number
206-115-4
MDL Number
MFCD00035423
Beilstein Number
3693575
Merck Index
146086

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -3.034349  H Acceptors
H Donor LogD (pH = 5.5) -5.569452 
LogD (pH = 7.4) -5.594027  Log P -0.841552 
Molar Refractivity 11.5274 cm3 Polarizability 6.037845 Å3
Polar Surface Area 80.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
141-143°C expand Show data source
RTECS
MV7750000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
UN2811 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
23/24/25-40 expand Show data source
Safety Statements
27-36/37-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS Hazard statements
H301-H311-H331-H351 expand Show data source
GHS Precautionary statements
P261-P301+P310-P361-P302+P352-P405-P501A expand Show data source
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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