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611-34-7 molecular structure
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quinolin-5-amine

ChemBase ID: 30021
Molecular Formular: C9H8N2
Molecular Mass: 144.17322
Monoisotopic Mass: 144.06874827
SMILES and InChIs

SMILES:
c12c(N)cccc1nccc2
Canonical SMILES:
Nc1cccc2c1cccn2
InChI:
InChI=1S/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H2
InChIKey:
XMIAFAKRAAMSGX-UHFFFAOYSA-N

Cite this record

CBID:30021 http://www.chembase.cn/molecule-30021.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinolin-5-amine
IUPAC Traditional name
5-aminoquinoline
Synonyms
quinolin-5-amine
5-Quinolinamine
5-Aminoquinoline
Quinolin-5-ylamine
(Quinolin-5-yl)amine
NSC 170619
NSC 27982
Quinolin-5-amine
5-Amino-1-azanaphthalene
5-Aminoquinoline
5-喹啉胺
5-氨基喹啉
CAS Number
611-34-7
EC Number
210-266-1
MDL Number
MFCD00006797
Beilstein Number
114479
PubChem SID
160993328
24891293
24846053
PubChem CID
11911

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.128928  LogD (pH = 7.4) 1.2992443 
Log P 1.3019745  Molar Refractivity 44.6797 cm3
Polarizability 18.163153 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)
Solubility
DMSO expand Show data source
Methanol expand Show data source
Apperance
Reddish-Brown Solid expand Show data source
Melting Point
106-109 °C(lit.) expand Show data source
106-112 °C expand Show data source
107-109°C expand Show data source
107-109°C expand Show data source
107-109°C°C expand Show data source
Boiling Point
310 °C(lit.) expand Show data source
310°C expand Show data source
310°C expand Show data source
Storage Warning
Air Sensitive expand Show data source
Harmful/Irritant/Air Sensitive/Store under Argon expand Show data source
IRRITANT expand Show data source
RTECS
VA9625000 expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22 expand Show data source
36/38 expand Show data source
Safety Statements
26-36 expand Show data source
36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301-H311-H332 expand Show data source
H315-H319 expand Show data source
GHS Precautionary statements
P261-P301+P310-P361-P302+P352-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
≥97.0% (NT) expand Show data source
97% expand Show data source
98% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Certificate of Analysis
Download expand Show data source
Download expand Show data source
Empirical Formula (Hill Notation)
C9H8N2 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich TRC TRC
MP Biomedicals - 05209786 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - A79205 external link
Packaging
1, 5 g in glass bottle
Sigma Aldrich - 07340 external link
Caution
may discolor to brown-yellow on storage
Toronto Research Chemicals - A629165 external link
Intermediate in the preparation of P2X7 antagonists

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Donnelly-Roberts, D., et al.: Neuropharmacol., 56, 223 (2009)
  • • Perez-Medrano, A., et al.: J. Med. Chem., 52, 3366 (2009)
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PATENTS

PATENTS

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INTERNET

INTERNET

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