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23609-20-3

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Basic Information
CAS No.: 23609-20-3
Name: cyanoethyl-p-phenetidine
Molecular Structure:
Molecular Structure of 23609-20-3 (cyanoethyl-p-phenetidine)
Formula: C11H14 N2 O
Molecular Weight: 190.245
Synonyms: Propionitrile,3-p-phenetidino- (6CI,8CI); Cyanoethyl-p-phenetidine; N-(b-Cyanoethyl)-p-phenetidine
Density: 1.082g/cm3
Boiling Point: 379.6°Cat760mmHg
Flash Point: 183.4°C
Safety: Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx.
PSA: 45.05000
LogP: 2.48388
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Chemistry

Molecule structure of Cyanoethyl-p-phenetidine (CAS NO.23609-20-3):

IUPAC Name: 3-(4-Ethoxyanilino)propanenitrile 
Molecular Weight: 190.24166 g/mol
Molecular Formula: C11H14N2O 
Density: 1.082 g/cm3 
Boiling Point: 379.6 °C at 760 mmHg 
Flash Point: 183.4 °C
Index of Refraction: 1.554
Molar Refractivity: 56.35 cm3
Molar Volume: 175.7 cm3
Polarizability: 22.34×10-24 cm3
Surface Tension: 43.1 dyne/cm 
Enthalpy of Vaporization: 62.76 kJ/mol
Vapour Pressure: 5.8E-06 mmHg at 25 °C
XLogP3-AA: 2.5
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Exact Mass: 190.110613
MonoIsotopic Mass: 190.110613
Topological Polar Surface Area: 45
Heavy Atom Count: 14
Complexity: 189
Canonical SMILES: CCOC1=CC=C(C=C1)NCCC#N
InChI: InChI=1S/C11H14N2O/c1-2-14-11-6-4-10(5-7-11)13-9-3-8-12/h4-7,13H,2-3,9H2,1H3
InChIKey of Cyanoethyl-p-phenetidine (CAS NO.23609-20-3): YVJDQKHVINLCOY-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

orl-rat LD50:4600 mg/kg

     FATOAO    Farmakologiya i Toksikologiya (Moscow). 35 (1972),367.

Safety Profile

Low toxicity by ingestion. When heated to decomposition it emits toxic vapors of NOx.

Specification

 Cyanoethyl-p-phenetidine (CAS NO.23609-20-3) is also named as Cyanoethyl-4-phenetidine ; Propanenitrile, 3-((4-ethoxyphenyl)amino)- ; Propionitrile, 3-p-phenetidino- (6CI,8CI) .