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62708-52-5 molecular structure
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bis(2-amino-1-methyl-4,5-dihydro-1H-imidazol-4-one); dichlorozinc

ChemBase ID: 102381
Molecular Formular: C8H14Cl2N6O2Zn
Molecular Mass: 362.52176
Monoisotopic Mass: 359.98467108
SMILES and InChIs

SMILES:
CN1CC(=O)N=C1N.CN1CC(=O)N=C1N.Cl[Zn]Cl
Canonical SMILES:
O=C1N=C(N(C1)C)N.O=C1N=C(N(C1)C)N.Cl[Zn]Cl
InChI:
InChI=1S/2C4H7N3O.2ClH.Zn/c2*1-7-2-3(8)6-4(7)5;;;/h2*2H2,1H3,(H2,5,6,8);2*1H;/q;;;;+2/p-2
InChIKey:
SDBNHMFCQJHUNL-UHFFFAOYSA-L

Cite this record

CBID:102381 http://www.chembase.cn/molecule-102381.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(2-amino-1-methyl-4,5-dihydro-1H-imidazol-4-one); dichlorozinc
IUPAC Traditional name
2-amino-3-methyl-4H-imidazol-5-one; creatinine; zinc chloride
Synonyms
2-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-one
2-Amino-1-methyl-4-imidazolidinone
1-Methylhydantoin-2-imide
1-Methylglycocyamidine
2-Imino-N-methylhydantoin
2-Imino-1-methylimidazolidin-4-one
CREATININE ZINC CHLORIDE
CAS Number
62708-52-5
PubChem SID
162088426
PubChem CID
44134640

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02101424 external link Add to cart Please log in.
Data Source Data ID
PubChem 44134640 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.580589  H Acceptors
H Donor LogD (pH = 5.5) -1.7336907 
LogD (pH = 7.4) -3.258215  Log P -1.4594195 
Molar Refractivity 28.32 cm3 Polarizability 10.516907 Å3
Polar Surface Area 58.69 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
Room Temperature (15-30°C) expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Nature polluting Nature polluting (N) expand Show data source
UN Number
3077 expand Show data source
MSDS Link
Download expand Show data source
Hazard Class
9 expand Show data source
Packing Group
III expand Show data source
Australian Hazchem
2X expand Show data source
Risk Statements
R:15-17-58 expand Show data source
Safety Statements
S:7/8-61 expand Show data source
Emergency Response Guidebook(ERG) Number
171 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02101424 external link
Zinc Chloride
Crystalline

REFERENCES

REFERENCES

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PATENTS

PATENTS

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