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

emery5724 · BRN 2369849 · N-Cyanoethyl-hydroxy · N-Cyano-N-hydroxyaniline · N-Cyanoethyl-hydroxyethyl anili · 3-(2-ethoxyanilino)propionitrile · 3-(2-ethoxyanilino)propanenitrile · n-cyanoethyl-hydroxyethyl aniline

https://huagongshe.com/de/chemical/113349

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

Identifikatoren & physikalische Daten

CAS No.	92-64-8
Summenformel	C11H14N2O
Durchschnittliche Molmasse	190,24 g/mol
Monoisotopische Masse	190,11061307 g/mol
SMILES	N#CCCN(CCO)c1ccccc1
InChIKey	WZJJWQVBLSPALW-UHFFFAOYSA-N
PubChem CID	113349
EC No.	202-174-5
DTXSID	DTXSID6052617
Lokaler Name	3-(N-(2-Hydroxyethyl)anilino)propiononitril

Chemische & physikalische Eigenschaften

XLogP	1,4
Polarare Oberfläche (TPSA)	47,3
H-Brücken-Donoren	1
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	5
Schwere Atome	14
Formalladung	0
Komplexität	191
Collision Cross Section	142.8 Å² [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID6052617]
Schmelzpunkt	68 °C
Siedepunkt	315 °C(lit.)
Dichte	1.06 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.57(lit.)
Flammpunkt	107-110°C/15mm
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	clear liquid
pKa (Säurekonstante)	14.51±0.10(Predicted)
Farbe	Colorless to Yellow to Green
Löslichkeit	Not miscible or difficult to mix with water.
BRN	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	92-64-8(CAS DataBase Reference)
EPA chemische Informationen	Propanenitrile, 3-[(2-hydroxyethyl)phenylamino]- (92-64-8)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH315 (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.
Hazard Classes and Categories	Skin Irrit. 2 (100%)
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
Zollcode	29269090
RTECS-Nr.	UG2905000
R-Sätze (R)	36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	26-36

Anwendungen & Verwendung

Verwenden

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