5-Amino-6-methylquinoline

HCID 3022182CAS 50358-35-5

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Grundinformationen

Standard-SMILES: Cc1ccc2ncccc2c1N
InChIKey: KQIDQFHIEFDWPM-UHFFFAOYSA-N
Summenformel: C10H10N2
Durchschnittliche Molmasse: 158,2 g/mol
Monoisotopische Masse: 158,08439832

Namen und Bezeichner

Bevorzugter Name: 5-Amino-6-methylquinoline
IUPAC: 6-methylquinolin-5-amine
Englischer Name: 6-METHYL-QUINOLIN-5-YLAMINE
Summenformel: C10H10N2
Molmasse: 158.2

Namen und Synonyme

5-Amino-6-methylquinolineRefChem:532375624-463-96-methylquinolin-5-amine50358-35-56-Methyl-5-quinolinamine6-Methyl-quinolin-5-ylamine5-Quinolinamine, 6-methyl-MFCD00094194MLS000718961SCHEMBL33431506-methyl-5-quinolylamine

Weitere Namen anzeigen

AKOS AUF01722AKOS BBS-00005361ASINEX-REAG BAS 098892306-methyl-5-quinolinylamine5-Amino-6-methylquinoline 97%

6-Methyl-5-aminoquinoline6-Methylquinolin-5-ylamine6-methyl-(quinolin-CHEMBL1569132DTXSID10388563KQIDQFHIEFDWPM-UHFFFAOYSA-N5-Amino-6-methylquinoline, 97%HMS2727A10

Datenbank-Bezeichner

CAS: 50358-35-5
PubChem CID: 3022182
DTXSID: DTXSID10388563
ChEMBL: CHEMBL1569132
EC Number: 624-463-9
Nikkaji: J89.546F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 38,9 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 12
Formalladung: 0
Komplexität: 158

Experimentelle und physikochemische Eigenschaften

Solubility>23.7 [ug/mL] (The mean of the results at pH 7.4)

Physikochemische Eigenschaften

Schmelzpunkt: 133 · 133-137 °C
Siedepunkt: 326.2 · 326.2±27.0 °C(Predicted)
Dichte: 1.169 · 1.169±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C, protect from light
pka: 5.78 · 5.78±0.15(Predicted)
Aggregatzustand: solid
InChI: 1S/C10H10N2/c1-7-4-5-9-8(10(7)11)3-2-6-12-9/h2-6H,11H2,1H3
InChIKey: KQIDQFHIEFDWPM-UHFFFAOYSA-N
SMILES: Cc1ccc2ncccc2c1N

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P354+P338, P317, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Sicherheitsdaten

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 2933499090
risk_code: 22-41
hazard_code: Xi,Xn
safety_code: 26
hazard_class: IRRITANT
Speicherklasse: 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1