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60869-69-4 molecular structure
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bis(4-(diethylamino)-2-methylbenzene-1-diazonium); tetrachlorozincdiuide

ChemBase ID: 130553
Molecular Formular: C22H32Cl4N6Zn
Molecular Mass: 587.72168
Monoisotopic Mass: 584.07339777
SMILES and InChIs

SMILES:
CCN(CC)c1ccc(c(c1)C)[N+]#N.CCN(CC)c1ccc(c(c1)C)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
Canonical SMILES:
Cl[Zn-2](Cl)(Cl)Cl.CCN(c1ccc(c(c1)C)[N+]#N)CC.CCN(c1ccc(c(c1)C)[N+]#N)CC
InChI:
InChI=1S/2C11H16N3.4ClH.Zn/c2*1-4-14(5-2)10-6-7-11(13-12)9(3)8-10;;;;;/h2*6-8H,4-5H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4
InChIKey:
PXRXIYZGEGFBFM-UHFFFAOYSA-J

Cite this record

CBID:130553 http://www.chembase.cn/molecule-130553.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(4-(diethylamino)-2-methylbenzene-1-diazonium); tetrachlorozincdiuide
IUPAC Traditional name
bis(4-(diethylamino)-2-methylbenzenediazonium); tetrachlorozincdiuide
Synonyms
Diazo 575F
p-Diazo-N,N-diethyl-m-toluidine hemi(zinc chloride) salt
4-二乙氨基-2-甲苯重氮氯化物 氯化锌复盐
对重氮基-N,N-二乙基间甲苯胺 半(氯化锌) 盐
CAS Number
60869-69-4
MDL Number
MFCD03939195
PubChem SID
24893948
162224831
PubChem CID
71308318

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
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Data Source Data ID
PubChem 71308318 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.1448205  LogD (pH = 7.4) 3.1448205 
Log P 3.1448205  Molar Refractivity 80.6711 cm3
Polarizability 21.920013 Å3 Polar Surface Area 31.39 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
German water hazard class
3 expand Show data source
Grade
practical grade expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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