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21703-52-6 molecular structure
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2-hydrazinyl-4-methylquinoline

ChemBase ID: 113425
Molecular Formular: C10H11N3
Molecular Mass: 173.21444
Monoisotopic Mass: 173.09529737
SMILES and InChIs

SMILES:
n1c(cc(c2c1cccc2)C)NN
Canonical SMILES:
NNc1cc(C)c2c(n1)cccc2
InChI:
InChI=1S/C10H11N3/c1-7-6-10(13-11)12-9-5-3-2-4-8(7)9/h2-6H,11H2,1H3,(H,12,13)
InChIKey:
FLDYBLAUDDQRAB-UHFFFAOYSA-N

Cite this record

CBID:113425 http://www.chembase.cn/molecule-113425.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-hydrazinyl-4-methylquinoline
IUPAC Traditional name
2-hydrazinyl-4-methylquinoline
Synonyms
(4-Methyl-quinolin-2-yl)-hydrazine
2-hydrazinyl-4-methylquinoline
CAS Number
21703-52-6
MDL Number
MFCD00818533
PubChem SID
162097852
PubChem CID
818195

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 818195 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.80999506  LogD (pH = 7.4) 1.5367244 
Log P 2.630422  Molar Refractivity 55.0407 cm3
Polarizability 21.324572 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
146 - 148°C expand Show data source
Partition Coefficient
1.613 expand Show data source
Hydrophobicity(logP)
2.623 expand Show data source
Purity
95% expand Show data source
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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