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578-66-5 molecular structure
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quinolin-8-amine

ChemBase ID: 10018
Molecular Formular: C9H8N2
Molecular Mass: 144.17322
Monoisotopic Mass: 144.06874827
SMILES and InChIs

SMILES:
Nc1c2c(ccc1)cccn2
Canonical SMILES:
Nc1cccc2c1nccc2
InChI:
InChI=1S/C9H8N2/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,10H2
InChIKey:
WREVVZMUNPAPOV-UHFFFAOYSA-N

Cite this record

CBID:10018 http://www.chembase.cn/molecule-10018.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinolin-8-amine
IUPAC Traditional name
8-aminoquinoline
Synonyms
8-Aminoquinoline
Quinolin-8-amine
8-Quinolinamine
8-Aminoquinoline
quinolin-8-amine
8-喹啉胺
8-氨基喹啉
CAS Number
578-66-5
EC Number
209-427-9
MDL Number
MFCD00006809
Beilstein Number
114474
PubChem SID
160973325
24855768
PubChem CID
11359

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.945225  H Acceptors
H Donor LogD (pH = 5.5) 1.2826123 
LogD (pH = 7.4) 1.3017248  Log P 1.3019745 
Molar Refractivity 44.6797 cm3 Polarizability 18.166979 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
60-65 °C(lit.) expand Show data source
63-67°C expand Show data source
64 - 66°C expand Show data source
65-68°C expand Show data source
66-68°C expand Show data source
Boiling Point
174 °C/26 mmHg(lit.) expand Show data source
174°C/26mm expand Show data source
174°C/26mm expand Show data source
Hydrophobicity(logP)
1.477 expand Show data source
Storage Warning
Air Sensitive expand Show data source
IRRITANT expand Show data source
Irritant/Air Sensitive/Store under Argon expand Show data source
RTECS
VA9627000 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
36/37/38-68 expand Show data source
36/38 expand Show data source
Safety Statements
26-36 expand Show data source
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
H341-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305+P351+P338-P302+P352-P321-P405-P501A expand Show data source
P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
95% expand Show data source
98% expand Show data source
98+% expand Show data source
Empirical Formula (Hill Notation)
C9H8N2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 260789 external link
Packaging
5, 25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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