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2538-61-6 molecular structure
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(2,6-dimethylphenyl)hydrazine hydrochloride

ChemBase ID: 34750
Molecular Formular: C8H13ClN2
Molecular Mass: 172.65522
Monoisotopic Mass: 172.07672611
SMILES and InChIs

SMILES:
c1(c(cccc1C)C)NN.Cl
Canonical SMILES:
NNc1c(C)cccc1C.Cl
InChI:
InChI=1S/C8H12N2.ClH/c1-6-4-3-5-7(2)8(6)10-9;/h3-5,10H,9H2,1-2H3;1H
InChIKey:
GQKQMDUOOZVZFD-UHFFFAOYSA-N

Cite this record

CBID:34750 http://www.chembase.cn/molecule-34750.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,6-dimethylphenyl)hydrazine hydrochloride
IUPAC Traditional name
(2,6-dimethylphenyl)hydrazine hydrochloride
Synonyms
(2,6-Dimethylphenyl)hydrazine hydrochloride
2,6-Dimethylphenylhydrazine hydrochloride 98%
CAS Number
2538-61-6
MDL Number
MFCD01861265
PubChem SID
160998057
PubChem CID
12405010

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 12405010 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.146151  LogD (pH = 7.4) 2.387592 
Log P 2.3917313  Molar Refractivity 45.8471 cm3
Polarizability 16.43874 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Harmful/Irritant expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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