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86780-25-8 molecular structure
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2-carbamoyl-5-methoxybenzene-1-diazonium chloride

ChemBase ID: 102440
Molecular Formular: C8H8ClN3O2
Molecular Mass: 213.62102
Monoisotopic Mass: 213.03050419
SMILES and InChIs

SMILES:
[Cl-].COc1cc([N+]#N)c(cc1)C(=O)N
Canonical SMILES:
N#[N+]c1cc(OC)ccc1C(=O)N.[Cl-]
InChI:
InChI=1S/C8H7N3O2.ClH/c1-13-5-2-3-6(8(9)12)7(4-5)11-10;/h2-4H,1H3,(H-,9,12);1H
InChIKey:
LPTBOYZVJIBCPQ-UHFFFAOYSA-N

Cite this record

CBID:102440 http://www.chembase.cn/molecule-102440.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-carbamoyl-5-methoxybenzene-1-diazonium chloride
IUPAC Traditional name
2-carbamoyl-5-methoxybenzenediazonium chloride
Synonyms
FAST RED KL SALT PURE
CAS Number
86780-25-8
PubChem SID
162088438
PubChem CID
18991222

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02101681 external link Add to cart Please log in.
Data Source Data ID
PubChem 18991222 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.874237  H Acceptors
H Donor LogD (pH = 5.5) 0.8049663 
LogD (pH = 7.4) 2.3965912  Log P 0.5027083 
Molar Refractivity 67.2457 cm3 Polarizability 17.06084 Å3
Polar Surface Area 80.47 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
MSDS Link
Download expand Show data source
Purity
Dye Content ~25% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02101681 external link
Used in SGOT-
Transaminase.
Dye content: ~25%

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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