Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]-

Base Information

• Chemical Name: Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]-
• CAS No.: 119-95-9
• Molecular Formula: C12H16N2O
• Molecular Weight: 204.272
• Hs Code.: 2926909090
• European Community (EC) Number: 204-360-1
• NSC Number: 329205
• UNII: YYR9XC72FT
• DSSTox Substance ID: DTXSID8059502
• Nikkaji Number: J37.704J
• Wikidata: Q72484140
• Mol file: 119-95-9.mol

Synonyms:119-95-9;Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]-;3-((2-Hydroxyethyl)(m-tolyl)amino)propanenitrile;N-(2-Cyanoethyl)-N-(2-hydroxyethyl)-m-toluidine;N-Cyanoethyl-N-hydroxyethyl-m-toluidine;3-(N-(2-Hydroxyethyl)-m-toluidino)propionitrile;3-[N-(2-hydroxyethyl)-3-methylanilino]propanenitrile;N-(2-Hydroxyethyl)-N-(2-cyanoethyl)-m-toluidine;3-[(2-hydroxyethyl)(3-methylphenyl)amino]propanenitrile;EINECS 204-360-1;NSC 329205;NSC-329205;Propanenitrile, 3-((2-hydroxyethyl)(3-methylphenyl)amino)-;3-[N-(2-Hydroxyethyl)-m-toluidino]propionitrile;3-(N-(2-Hydroxyethyl)-m-toluidino)propiononitrile;3-[n-(2-hydroxyethyl)-m-toluidino]propiononitrile;Propionitrile, 3-[N-(2-hydroxyethyl)-m-toluidino]-;Propionitrile, 3-(N-(2-hydroxyethyl)-m-toluidino)-;NSC329205;3-[(2-Hydroxyethyl)(3-methylphenyl)amino]propionitrile;YYR9XC72FT;SCHEMBL9300167;DTXSID8059502;3-[(2-hydroxyethyl)(3-methylphenyl)amino]-propanenitrile;N-Cyanoethyl-N-oxyethyl-m-toluidine;MFCD00045976;AKOS005175114;AS-70727;N-(Cyanoethyl)-N-Hydroxyethyl-m-Toluidine;CS-0365422;FT-0631684;D95845;A892385;3-[(2-Hydroxyethyl)-3-methylanilino]propanenitrile #;N-(beta-Cyanoethyl)-N-(beta-hydroxyethyl)-M-toluidine;N-(TERT-BUTOXYCARBONYL)-L-PROLINEN-METHOXY-N-METHYLAMIDE;3-[N-(2-Hydroxyethyl)-m-toluidino]propiononitrile;3-[(2-Hydroxyethyl)(m-tolyl)amino]propionitrile

Chemical Property of Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]-

Chemical Property:

• Vapor Pressure: 3.18E-07mmHg at 25°C
• Refractive Index: n20/D 1.564(lit.)
• Boiling Point: 403.2 °C at 760 mmHg
• Flash Point: 197.6 °C
• PSA: 47.26000
• Density: 1.109 g/cm³
• LogP: 1.70738
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 204.126263138
• Heavy Atom Count: 15
• Complexity: 221

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-[(2-Hydroxyethyl)(3-methylphenyl)amino]-propanenitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)N(CCC#N)CCO

Technology Process of Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]-

There total 1 articles about Propanenitrile, 3-[(2-hydroxyethyl)(3-methylphenyl)amino]- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ 3-[(2-hydroxyethyl)-3-tolylamino]propionitrile (119-95-9)

Guidance literature:

at 80 - 85 ℃;

Reference yield: 77.1%

2-Amino-5,6-dichlorobenzothiazole (24072-75-1) + 3-[(2-hydroxyethyl)-3-tolylamino]propionitrile (119-95-9) → C19H17Cl2N5OS

Guidance literature:

2-Amino-5,6-dichlorobenzothiazole; With sulfuric acid; urea; sodium nitrite; In water; at 5 ℃; for 0.5h;

3-[(2-hydroxyethyl)-3-tolylamino]propionitrile; In methanol; water; for 2h; Cooling with ice;

Reference yield: 70.2%

3-[(2-hydroxyethyl)-3-tolylamino]propionitrile (119-95-9) + 2,6-Dichloroaniline (608-31-1) → C18H18Cl2N4O

Guidance literature:

2,6-Dichloroaniline; With hydrogenchloride; urea; sodium nitrite; In water; at 5 ℃; for 0.5h; Heating;

3-[(2-hydroxyethyl)-3-tolylamino]propionitrile; In methanol; water; Cooling with ice;

Downstream raw materials:

3-[[4-(4,6-Bis-dimethylamino-[1,3,5]triazin-2-ylazo)-3-methyl-phenyl]-(2-hydroxy-ethyl)-amino]-propionitrile

Refernces