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Alkaloids

2,5-Dimethoxy-4-((4-nitrophenyl)azo)benzenediazonium tetrachlorozincate (2:1)

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PHY-NP-09007 · Natural product research catalog

Catalog numberPHY-NP-09007
CAS number64071-86-9
Molecular formulaC14H14Cl3N5O4Zn
Molecular weight521.483 g/mol
Chemical classAlkaloids
Purity / assayMin. 98%
Other purity specifications available on inquiry.

Chemical structure

Chemical structure of 2,5-Dimethoxy-4-((4-nitrophenyl)azo)benzenediazonium tetrachlorozincate (2:1)

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Product information

2,5-Dimethoxy-4-((4-nitrophenyl)azo)benzenediazonium tetrachlorozincate (2:1) is listed in the Alkaloids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC namedichlorozinc;[2,5-dimethoxy-4-[(4-nitrophenyl)diazenyl]phenyl]iminoazanium;chloride
SMILESCOC1=CC(=C(C=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])OC)[N+]#N.[Cl-].[Cl-].[Cl-].[Cl-].[Zn+2]
InChIKeyUDSRCWSIGGYMMZ-UHFFFAOYSA-J
Subclass / scaffoldPseudoalkaloids:Azo and Azoxy alkaloids
PubChem CID5748680

Computed properties

Exact mass (Da)517.894Predicted LogP4.512
Predicted TPSA (Ų)114.47H-bond donors0
H-bond acceptors7Rotatable bonds5

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification
Ring count2
Aromatic rings2
Fraction Csp³0.143
Synthetic accessibility score2.76
QED score0.348
Lipinski rule violations0
NPClassifier pathwayAlkaloids
NPClassifier superclassPseudoalkaloids
NPClassifier classAzo and Azoxy alkaloids
Parent SMILESCOc1cc([N+]#N)c(OC)cc1N=Nc1ccc([N+](=O)[O-])cc1
Parent formulaC14H12N5O4+
Parent molecular weight314.281
Specified stereocenters0
Unspecified stereocenters0

Reported natural occurrence

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references
LOTUS species records0
LOTUS reference records0
COCONUT organism records0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)Not yet published
Storage / solubilityProduct-specific conditions to be confirmed
ShippingConfirmed with the quotation

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