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70125-16-5 molecular structure
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2-aminoquinolin-8-ol

ChemBase ID: 158081
Molecular Formular: C9H8N2O
Molecular Mass: 160.17262
Monoisotopic Mass: 160.06366289
SMILES and InChIs

SMILES:
c1cc2ccc(nc2c(c1)O)N
Canonical SMILES:
Nc1ccc2c(n1)c(O)ccc2
InChI:
InChI=1S/C9H8N2O/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h1-5,12H,(H2,10,11)
InChIKey:
UFVLIVCXTIGACT-UHFFFAOYSA-N

Cite this record

CBID:158081 http://www.chembase.cn/molecule-158081.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminoquinolin-8-ol
IUPAC Traditional name
2-aminoquinolin-8-ol
Synonyms
2-Amino-8-quinolinol
2-Amino-8-hydroxyquinoline
2-Amino-8-quinolinol
2-aminoquinolin-8-ol
2-Amino-8-hydroxyquinoline
2-Amino-8-quinolinol
2-氨基-8-羟基喹啉
2-氨基-8-喹啉醇
CAS Number
70125-16-5
MDL Number
MFCD00168931
Beilstein Number
124025
PubChem SID
24846149
162252217
PubChem CID
4653788

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.35206  H Acceptors
H Donor LogD (pH = 5.5) 0.7164501 
LogD (pH = 7.4) 1.52947  Log P 1.5928668 
Molar Refractivity 46.9741 cm3 Polarizability 18.705727 Å3
Polar Surface Area 59.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Acetone expand Show data source
Dimethyl Sulfoxide expand Show data source
Apperance
Green-Yellow Solid expand Show data source
Melting Point
157-160 °C expand Show data source
157-160°C expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98.0% (GC) expand Show data source
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C9H8N2O expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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