1-Methyl-1,2,3,4-tetrahydroquinoxaline

HCID 215850

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Grundinformationen

CAS: 36438-97-8
Standard-SMILES: CN1CCNc2ccccc21
InChIKey: SXLZJUPRTINRQQ-UHFFFAOYSA-N
Summenformel: C9H12N2
Durchschnittliche Molmasse: 148,2 g/mol
Monoisotopische Masse: 148,10004839

Namen und Bezeichner

Bevorzugter Name: 1-Methyl-1,2,3,4-tetrahydroquinoxaline
IUPAC: 4-methyl-2,3-dihydro-1H-quinoxaline
Englischer Name: 1-METHYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE
Summenformel: C9H12N2
Molmasse: 148.21

Namen und Synonyme

1-methyl-1,2,3,4-tetrahydroquinoxaline36438-97-8DTXSID70957774RefChem:433661DTXCID001385702805-460-34-methyl-2,3-dihydro-1H-quinoxalineMFCD01684957BRN 0131438Quinoxaline, 1,2,3,4-tetrahydro-1-methyl-Quinoxaline, 1,2,3,4-tetrahydro-4-methyl-Quinoxaline, 1-methyl-1,2,3,4-tetrahydro-

Weitere Namen anzeigen

1-METHYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE1-Methyl-1,2,3,4-tetrahydroquinoxaline dihydrochloride, 95+%4-methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine dihydrochloride1-METHYL-1,2,3,4-TETRAHYDRO-QUINOXALINE DIHYDROCHLORIDE ISO 9001：2015 REACH

1-methyl-1,2,3,4-tetrahydro-quinoxalineSCHEMBL305967SCHEMBL6198063SCHEMBL6198065CHEMBL5185429SCHEMBL18228459SCHEMBL28833094SCHEMBL30463209

Datenbank-Bezeichner

CAS: 36438-97-8
PubChem CID: 215850
DTXSID: DTXSID70957774
ChEMBL: CHEMBL5185429
EC Number: 805-460-3
Nikkaji: J48.375C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,8
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 11
Formalladung: 0
Komplexität: 136

Physikochemische Eigenschaften

Schmelzpunkt: 40.5 · 40.5-42℃
Siedepunkt: 163 · 163-169 °C(Press: 21 Torr)
Dichte: 1.033 · 1.033±0.06 g/cm3(Predicted)
pka: 7.41 · 7.41±0.20(Predicted)
CAS Datenbank: 36438 · 36438-97-8

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.