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85156-25-8 molecular structure
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3-phenylpyridazin-4-amine

ChemBase ID: 797673
Molecular Formular: C10H9N3
Molecular Mass: 171.19856
Monoisotopic Mass: 171.0796473
SMILES and InChIs

SMILES:
n1nc(c(cc1)N)c1ccccc1
Canonical SMILES:
Nc1ccnnc1c1ccccc1
InChI:
InChI=1S/C10H9N3/c11-9-6-7-12-13-10(9)8-4-2-1-3-5-8/h1-7H,(H2,11,12)
InChIKey:
HVMZWEXKGOJZAF-UHFFFAOYSA-N

Cite this record

CBID:797673 http://www.chembase.cn/molecule-797673.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-phenylpyridazin-4-amine
IUPAC Traditional name
3-phenylpyridazin-4-amine
Synonyms
3-Phenylpyridazin-4-aMine
CAS Number
85156-25-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O9481 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O9481 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.071223  LogD (pH = 7.4) 0.94208014 
Log P 0.97995317  Molar Refractivity 53.229 cm3
Polarizability 20.680864 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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