Diethylaminoacetonitrile

Base Information

• Chemical Name: Diethylaminoacetonitrile
• CAS No.: 3010-02-4
• Molecular Formula: C6H12N2
• Molecular Weight: 112.175
• Hs Code.: 29269095
• European Community (EC) Number: 221-130-6
• NSC Number: 15878
• UNII: 468YW0H2FA
• DSSTox Substance ID: DTXSID8062781
• Nikkaji Number: J27.770C
• Wikidata: Q27258918
• Mol file: 3010-02-4.mol

Synonyms:Diethylaminoacetonitrile;3010-02-4;2-(Diethylamino)acetonitrile;Acetonitrile, (diethylamino)-;N,N-Diethylaminoacetonitrile;(Diethylamino)acetonitrile;Glycinonitrile, N,N-diethyl-;Nitril kiseliny diethylaminooctove;468YW0H2FA;Acetonitrile, 2-(diethylamino)-;EINECS 221-130-6;NSC 15878;NSC-15878;BRN 0969468;Nitril kiseliny diethylaminooctove [Czech];N,N-Diethylcyanoactamide;2-diethylamino-acetonitrile;Diathylaminoacetonitril;diethylamino-acetonitrile;N,N-Diethylglycinonitrile;Glycinonitrile,N-diethyl-;UNII-468YW0H2FA;SCHEMBL65244;WLN: NC1N2&2;DTXSID8062781;HMS1787D05;ADAL1185350;NSC15878;MFCD00001891;AKOS000121565;CS-0309334;D1104;EN300-17594;D89781;4-04-00-02378 (Beilstein Handbook Reference);A820196;Q27258918;Z56968509

Chemical Property of Diethylaminoacetonitrile

Chemical Property:

• Appearance/Colour: clear orange-brown liquid
• Vapor Pressure: 760 mm Hg ( 170 °C)
• Refractive Index: n20/D 1.426(lit.)
• Boiling Point: 169.999 °C at 760 mmHg
• PKA: 6.59±0.25(Predicted)
• Flash Point: 53.889 °C
• PSA: 27.03000
• Density: 0.875 g/cm³
• LogP: 0.85178
• Storage Temp.: Flammables area
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 112.100048391
• Heavy Atom Count: 8
• Complexity: 85.9

Purity/Quality:

99.9% ^*data from raw suppliers

Diethylaminoacetonitrile >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 10-23/24/25-41-36
• Safety Statements: 16-26-36/37/39-45-38-28A

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN(CC)CC#N

Technology Process of Diethylaminoacetonitrile

There total 18 articles about Diethylaminoacetonitrile 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: 90.0%

diethylamine (109-89-7) + cyanomethyl bromide (590-17-0) → diethylaminoacetonitrile (3010-02-4)

Guidance literature:

In ethyl acetate;

Reference yield: 85.0%

chloroacetonitrile (107-14-2) + diethylamine (109-89-7) → diethylaminoacetonitrile (3010-02-4)

Guidance literature:

DOI:10.1002/kin.550270203

Reference yield: 79.0%

(Z)-2-(Diethylamino)ethanal-oxim (102588-37-4) → diethylaminoacetonitrile (3010-02-4)

Guidance literature:

With nickel(II) chloride dihydrate; In acetonitrile; at 80 ℃; Molecular sieve; Inert atmosphere;

DOI:10.1055/s-0030-1260119

upstream raw materials:

formaldehyd

potassium cyanide

chloroacetonitrile

diethylamine

Downstream raw materials:

indole-3-acetonitrile

hydrogen cyanide

3,3'-diindolylmethane

diethylamine

Refernces

• 1、 Li, Yen-Ting,Liao, Bei-Sih,Chen, Hsin-Pei,Liu, Shiuh-Tzung. "Ligand-free nickel-catalyzed conversion of aldoximes into nitriles". experimental part. p. 2639 - 2643. Retrieved 2011/10/04.
• 2、 -. "Novel tertiary (meth)acrylates having lactone structure, polymers, resist compositions and patterning process". . . Retrieved 2008/06/13.