N-Ethyl-2-benzothiazolamine

HCID 34201CAS 28291-69-2

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Grundinformationen

Standard-SMILES: CCNc1nc2ccccc2s1
InChIKey: SPJIVJKZYGYWQH-UHFFFAOYSA-N
Summenformel: C9H10N2S
Durchschnittliche Molmasse: 178,26 g/mol
Monoisotopische Masse: 178,0564695

Namen und Bezeichner

Bevorzugter Name: N-Ethyl-2-benzothiazolamine
IUPAC: N-ethyl-1,3-benzothiazol-2-amine
Englischer Name: 2-Benzothiazolamine,N-ethyl-(9CI)
Summenformel: C9H10N2S
Molmasse: 178.25

Namen und Synonyme

N-Ethyl-1,3-benzothiazol-2-amine28291-69-2N-ETHYL-2-BENZOTHIAZOLAMINEDTXSID20182539RefChem:829850DTXCID10105030962-642-6N-ethylbenzo[d]thiazol-2-amine2-Benzothiazolamine,N-ethyl-(9CI)MFCD006134572-(Ethylamino)-1,3-benzothiazole2-Benzothiazolamine, N-ethyl-

Weitere Namen anzeigen

2-(Ethylamino)benzothiazole

Benzothiazole, 2-(ethylamino)-2-ethylamino-benzthiazole2-ethylamino-benzothiazoleOprea1_305279Oprea1_720145SCHEMBL1913774HMS1673K12DBA29169

Datenbank-Bezeichner

CAS: 28291-69-2
PubChem CID: 34201
DTXSID: DTXSID20182539
EC Number: 962-642-6
Nikkaji: J102.648H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 53,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 12
Formalladung: 0
Komplexität: 151

Physikochemische Eigenschaften

Schmelzpunkt: 88 · 88-89 °C
Siedepunkt: 142 °C · 142 °C(Press: 0.14 Torr)
Dichte: 1.253 · 1.253±0.06 g/cm3(Predicted)
pka: 3.7 · 3.70±0.10(Predicted)
Aggregatzustand: solid
InChI: 1S/C9H10N2S/c1-2-10-9-11-7-5-3-4-6-8(7)12-9/h3-6H,2H2,1H3,(H,10,11)
InChIKey: SPJIVJKZYGYWQH-UHFFFAOYSA-N
SMILES: CCNc1nc2ccccc2s1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): 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.