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38956-80-8 molecular structure
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3-hydrazinyl-6-phenylpyridazine

ChemBase ID: 24765
Molecular Formular: C10H10N4
Molecular Mass: 186.2132
Monoisotopic Mass: 186.09054634
SMILES and InChIs

SMILES:
n1nc(NN)ccc1c1ccccc1
Canonical SMILES:
NNc1ccc(nn1)c1ccccc1
InChI:
InChI=1S/C10H10N4/c11-12-10-7-6-9(13-14-10)8-4-2-1-3-5-8/h1-7H,11H2,(H,12,14)
InChIKey:
ZNGXOKMCRDQBON-UHFFFAOYSA-N

Cite this record

CBID:24765 http://www.chembase.cn/molecule-24765.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-hydrazinyl-6-phenylpyridazine
IUPAC Traditional name
3-hydrazinyl-6-phenylpyridazine
Synonyms
3-Hydrazino-6-phenylpyridazine
3-Hydrazino-6-phenylpyridazine
CAS Number
38956-80-8
MDL Number
MFCD01219682
PubChem SID
160988072
PubChem CID
6409842

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 18.502052  H Acceptors
H Donor LogD (pH = 5.5) 1.5129423 
LogD (pH = 7.4) 1.7900103  Log P 1.7949792 
Molar Refractivity 58.5488 cm3 Polarizability 22.091373 Å3
Polar Surface Area 63.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
144 - 146°C expand Show data source
Hydrophobicity(logP)
2.097 expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source
Empirical Formula (Hill Notation)
C10H10N4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - CBR00023 external link
Other Notes
Please note that Sigma-Aldrich does not collect analytical data for AldrichCPR products and that all sales are final.All AldrichCPR products, and other building blocks or screening compounds that are part of this collection, are also available as custom packaged libraries - for more details about this service or for further information on this product, please contact us at AldrichCPR@sial.com.
Legal Information
Product of ChemBridge Corp.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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