N,N-Diethyl-m-toluidin

N,N-diethyl-m-toluidine

HCID 66679CAS 91-67-8

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Grundinformationen

Standard-SMILES: CCN(CC)c1cccc(C)c1
InChIKey: CIPVVROJHKLHJI-UHFFFAOYSA-N
Summenformel: C11H17N
Durchschnittliche Molmasse: 163,26 g/mol
Monoisotopische Masse: 163,13609954

Namen und Bezeichner

Bevorzugter Name: N,N-diethyl-m-toluidine
IUPAC: N,N-diethyl-3-methylaniline
Lokaler Name: N,N-Diethyl-m-toluidin
Englischer Name: N,N-Diethyl-m-toluidine
Summenformel: C11H17N
Molmasse: 163.26

Namen und Synonyme

N,N-Diethyl-m-toluidine91-67-8Benzenamine, N,N-diethyl-3-methyl-3-(Diethylamino)tolueneDTXSID1052610m-Methyl(diethylamino)benzeneNSC-96629E5635R949A3-Methyl-N,N-diethylbenzenamineDTXCID5031183RefChem:161173CIPVVROJHKLHJI-UHFFFAOYSA-N

Weitere Namen anzeigen

3-Methyl-N,N-diethylanilineDEMTdlethyl-toluidineN,N-Diethyl-m-toluidN,N-Diethyl-m-toluidinDiethy1 Meta ToluidineN,N-DIETHYL-3-TOLUIDINE

InChI=1/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3HN,N-Diethyl-3-methylaniline3-(Diethylamino)-1-methylbenzene3-(N,N-Diethylamino)toluene1-(Diethylamino)-3-methylbenzenem-Methyl-N,N-diethylanilineN,N-Diethyl-3-methylbenzenaminem-Toluidine, N,N-diethyl-

Datenbank-Bezeichner

CAS: 91-67-8
PubChem CID: 66679
DTXSID: DTXSID1052610
ChEMBL: CHEMBL3561120
UNII: E5635R949A
EC Number: 202-089-3
Nikkaji: J96.136A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,5
Polarare Oberfläche (TPSA): 3,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 3
Schwere Atome: 12
Formalladung: 0
Komplexität: 118

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesViscosity

Physikochemische Eigenschaften

Schmelzpunkt: 46.25 °C · 46.25°C (estimate)
Siedepunkt: 97 °C · 97 °C (17 mmHg)
Dichte: 0.92 · 0.92
Brechungsindex: 1.535 · 1.535-1.537
Flammpunkt: 101 °C · 101 °C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: clear liquid
pka: 6.84 · 6.84±0.30(Predicted)
Farbe: Light orange to Yellow to Green
InChI: InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKey: CIPVVROJHKLHJI-UHFFFAOYSA-N
SMILES: C1(N(CC)CC)=CC=CC(C)=C1
CAS Datenbank: 91 · 91-67-8(CAS DataBase Reference)
NIST chemische Informationen: -3 · Benzenamine, N,N-diethyl-3-methyl-(91-67-8)
EPA chemische Informationen: -3 · Benzenamine, N,N-diethyl-3-methyl- (91-67-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (33.1%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P316, P317, P321, P330, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 121 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Benzenamine, N,N-diethyl-3-methyl-

Status: Cease Manufacture Update: 06-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24394

Benzenamine, N,N-diethyl-3-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesAcute Tox. 3 (33.1%)

Sicherheitsdaten

wgk: WGK 2
tsca: TSCA listed
ridadr: UN 1708 6.1/PG 2
hs_code: 29214300
RTECS-Nr.: CX9869375
risk_code: 36/37/38-20/21/22-51/53-26-24/25-20
hazard_code: Xn,N,T
safety_code: 24/25-61-45-36/37-28
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralAquatic Chronic 2