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57369-93-4 molecular structure
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2-hydrazinyl-4,8-dimethylquinoline

ChemBase ID: 234216
Molecular Formular: C11H13N3
Molecular Mass: 187.24102
Monoisotopic Mass: 187.11094743
SMILES and InChIs

SMILES:
c12nc(cc(c1cccc2C)C)NN
Canonical SMILES:
NNc1cc(C)c2c(n1)c(C)ccc2
InChI:
InChI=1S/C11H13N3/c1-7-4-3-5-9-8(2)6-10(14-12)13-11(7)9/h3-6H,12H2,1-2H3,(H,13,14)
InChIKey:
IDGTZROMJOZLQC-UHFFFAOYSA-N

Cite this record

CBID:234216 http://www.chembase.cn/molecule-234216.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydrazinyl-4,8-dimethylquinoline
IUPAC Traditional name
2-hydrazinyl-4,8-dimethylquinoline
Synonyms
2-hydrazino-4,8-dimethylquinoline
CAS Number
57369-93-4
MDL Number
MFCD02197923
PubChem SID
164290126
PubChem CID
3684316

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-09211 external link Add to cart Please log in.
Data Source Data ID
PubChem 3684316 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3237833  LogD (pH = 7.4) 2.0548873 
Log P 3.1438434  Molar Refractivity 60.0819 cm3
Polarizability 23.08999 Å3 Polar Surface Area 50.94 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
168 - 170°C expand Show data source
Hydrophobicity(logP)
3.122 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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