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60869-69-4 molecular structure
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zinc(2+) ion bis(4-(diethylamino)-2-methylbenzene-1-diazonium) tetrachloride

ChemBase ID: 108529
Molecular Formular: C22H32Cl4N6Zn
Molecular Mass: 587.72168
Monoisotopic Mass: 584.07339777
SMILES and InChIs

SMILES:
[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2].CCN(CC)c1cc(C)c(cc1)[N+]#N.CCN(CC)c1cc(C)c(cc1)[N+]#N
Canonical SMILES:
CCN(c1ccc(c(c1)C)[N+]#N)CC.CCN(c1ccc(c(c1)C)[N+]#N)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
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:108529 http://www.chembase.cn/molecule-108529.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
zinc(2+) ion bis(4-(diethylamino)-2-methylbenzene-1-diazonium) tetrachloride
IUPAC Traditional name
zinc, ion (zn2+) bis(4-(diethylamino)-2-methylbenzenediazonium) tetrachloride
Synonyms
p-DIAZO-N-DIETHYL-m-PHENETIDINE
CAS Number
60869-69-4
PubChem SID
162094675
PubChem CID
6454079

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05207704 external link Add to cart Please log in.
Data Source Data ID
PubChem 6454079 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)
MSDS Link
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Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05207704 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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