3-(N-(2-Hydroxyethyl)anilino)propiononitril

Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-

HCID 113349CAS 92-64-8

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Grundinformationen

Standard-SMILES: N#CCCN(CCO)c1ccccc1
InChIKey: WZJJWQVBLSPALW-UHFFFAOYSA-N
Summenformel: C11H14N2O
Durchschnittliche Molmasse: 190,24 g/mol
Monoisotopische Masse: 190,11061307

Namen und Bezeichner

Bevorzugter Name: Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-
IUPAC: 3-[N-(2-hydroxyethyl)anilino]propanenitrile
Lokaler Name: 3-(N-(2-Hydroxyethyl)anilino)propiononitril
Englischer Name: N-Cyanoethyl-hydroxyethyl aniline
Summenformel: C11H14N2O
Molmasse: 190.25

Namen und Synonyme

92-64-8Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]-Emery 5724Aniline, N-cyanoethyl-N-hydroxyethyl-3-(N-(2-Hydroxyethyl)anilino)propiononitrile3-[(2-HYDROXYETHYL)PHENYLAMINO]PROPANENITRILEEINECS 202-174-53-((2-Hydroxyethyl)phenylamino)propanenitrileN-2-Hydroxyethyl-N-2-kyanethylanilinN-Hydroxyethyl-N-beta-cyanoethylanilinePropionitrile, 3-(N-(2-hydroxyethyl)anilino)-BRN 2369849

Weitere Namen anzeigen

emery5724N-Cyanoethyl-hydroxyN-Cyano-N-hydroxyanilineN-Cyanoethyl-hydroxyethyl anili3-(2-ethoxyanilino)propionitrile3-(2-ethoxyanilino)propanenitrilen-cyanoethyl-hydroxyethyl anilineN-hydroxyethyl-N-cyanoethylanilineN-cynoethyl,N-Hydroxyethyl aniline

Propionitrile, 3-((2-hydroxyethyl)phenylamino)-N-beta-Cyanoethyl-N-beta-hydroxyethylanilineN-2-Hydroxyethyl-N-2-kyanethylanilin [Czech]Propanenitrile, 3-((2-hydroxyethyl)phenylamino)-N-beta-Hydroxyethyl-N-beta-kyanethylanilin [Czech]N-beta-Hydroxyethyl-N-beta-kyanethylanilinRefChem:869039202-174-5

Datenbank-Bezeichner

CAS: 92-64-8
PubChem CID: 113349
DTXSID: DTXSID6052617
UNII: UD2CS7WY8M
EC Number: 202-174-5
Nikkaji: J90.400G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 47,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 5
Schwere Atome: 14
Formalladung: 0
Komplexität: 191

Experimentelle und physikochemische Eigenschaften

Collision Cross Section142.8 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6052617]

Physikochemische Eigenschaften

Schmelzpunkt: 68 °C · 68 °C
Siedepunkt: 315 °C · 315 °C(lit.)
Dichte: 1.06 g/mL · 1.06 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.57(lit.)
Flammpunkt: 107 · 107-110°C/15mm
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: clear liquid
pka: 14.51 · 14.51±0.10(Predicted)
Farbe: Colorless to Yellow to Green
Wasserlöslichkeit: Not miscible or difficult to mix with water.
BRN: 2369849 · 2369849
InChI: InChI=1S/C11H14N2O/c12-7-4-8-13(9-10-14)11-5-2-1-3-6-11/h1-3,5-6,14H,4,8-10H2
InChIKey: WZJJWQVBLSPALW-UHFFFAOYSA-N
SMILES: N(C1C=CC=CC=1)(CCO)CCC#N
CAS Datenbank: 92 · 92-64-8(CAS DataBase Reference)
EPA chemische Informationen: 3 · Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]- (92-64-8)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 2
tsca: TSCA listed
hs_code: 29269090
RTECS-Nr.: UG2905000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPropanenitrile, 3-[(2-hydroxyethyl)phenylamino]-: ACTIVE

Anwendungen

VerwendenN-(2-Cyanoethyl)-N-(2-hydroxyethyl)aniline is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff fields.