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13636-54-9 molecular structure
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(2,4,6-trimethylphenyl)hydrazine

ChemBase ID: 232671
Molecular Formular: C9H14N2
Molecular Mass: 150.22086
Monoisotopic Mass: 150.11569846
SMILES and InChIs

SMILES:
c1(c(cc(cc1C)C)C)NN
Canonical SMILES:
NNc1c(C)cc(cc1C)C
InChI:
InChI=1S/C9H14N2/c1-6-4-7(2)9(11-10)8(3)5-6/h4-5,11H,10H2,1-3H3
InChIKey:
PVKZANLHDRKRQR-UHFFFAOYSA-N

Cite this record

CBID:232671 http://www.chembase.cn/molecule-232671.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,4,6-trimethylphenyl)hydrazine
IUPAC Traditional name
(2,4,6-trimethylphenyl)hydrazine
Synonyms
mesitylhydrazine
CAS Number
13636-54-9
MDL Number
MFCD02663067
PubChem SID
164288581
PubChem CID
735803

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-07035 external link Add to cart Please log in.
Data Source Data ID
PubChem 735803 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.64444  LogD (pH = 7.4) 2.900675 
Log P 2.9051526  Molar Refractivity 50.8883 cm3
Polarizability 18.204092 Å3 Polar Surface Area 38.05 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.762 expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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