CAS 580-15-4 6-Aminoquinoline (HCID 11373)

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Basic information

CAS: 580-15-4
Standard SMILES: Nc1ccc2ncccc2c1
InChIKey: RJSRSRITMWVIQT-UHFFFAOYSA-N
Molecular formula: C9H8N2
Average molar mass: 144.17 g/mol
Monoisotopic mass: 144.06874826

Names & identifiers

Preferred name: 6-Aminoquinoline
IUPAC: quinolin-6-amine
English name: 6-Aminoquinoline
Molecular formula: C9H8N2
Molecular weight: 144.17

Names & synonyms

6-AMINOQUINOLINEQuinolin-6-amine580-15-4Quinoline, 6-amino-NSC-58388XN7T264NL4DTXSID80206725RefChem:104214DTXCID10129216209-453-06-Quinolinamine6-quinolylamine

Show more names

6-AQAKOS 212-41AKOS AUF017206-AminoquinoL

MFCD00006803Quinolin-6-ylamine3kqpEINECS 209-453-06-Amino-quinoline6-Aminoquinoline, 98%MLS000080747NSC58388

Database identifiers

CAS: 580-15-4
PubChem CID: 11373
DTXSID: DTXSID80206725
ChEMBL: CHEMBL99408
UNII: XN7T264NL4
EC Number: 209-453-0
Nikkaji: J79.670K

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 136

Experimental & physicochemical properties

LogP1.33

Physicochemical properties

Melting point: 115 · 115-119 °C (lit.)
Boiling point: 146 °C/0.3 · 146 °C/0.3 mmHg (lit.)
Density: 1.1148 · 1.1148 (estimate)
refractive index: 1.708 · 1.7080 (estimate)
Flash point: 146 °C/0.3mm · 146°C/0.3mm
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: Chloroform, DMSO, Methanol
form: Solid
pka: 1 · pK1: 5.63(+1) (20°C,μ=0.01)
color: Pale Brown to Brown
Water Solubility: Soluble in methanol, chloroform, ethanol, and benzene. Insoluble in water.
Sensitive: Air Sensitive
BRN

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (12.5%)

Safety data

F: 2-10
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: 2811
hs_code: 29334900
risk_code: 36/38-36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36-36/37/39
hazard_class: IRRITANT, AIR SENSITIVE
Storage Class: 11 - Combustible Solids
packing_group: III
Hazard statements: H315-H319
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2
Precautionary statements: P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313

Chemistry & industry

Applications · 2 items

Uses6-Aminoquinoline was used as an internal standard in determining serum nicotine and cotinine simultaneously by using high-performance liquid chromatography (HPLC)-fluorometric detection with a postcolumn ultraviolet-photoirradiation system. It was also used as a fluorescent derivatizing agent for the detection of biochemicals and in the synthesis of tertiary N-methylated enaminonesa.

Uses6-Aminoquinoline is used in the preparation of diaminopyrimidine derivatives as 5-HT4 receptor agonists.