Dimethylaminoacetonitrile

Base Information

• Chemical Name: Dimethylaminoacetonitrile
• CAS No.: 926-64-7
• Molecular Formula: C4H8N2
• Molecular Weight: 84.1209
• Hs Code.: 29269095
• European Community (EC) Number: 213-140-4
• NSC Number: 148364
• UN Number: 2378
• UNII: WU34F15N7C
• DSSTox Substance ID: DTXSID0073241
• Nikkaji Number: J27.772J
• Wikidata: Q27160226
• ChEMBL ID: CHEMBL2448941
• Mol file: 926-64-7.mol

Synonyms:Dimethylaminoacetonitrile;926-64-7;2-(dimethylamino)acetonitrile;(Dimethylamino)acetonitrile;Acetonitrile, (dimethylamino)-;N-(Cyanomethyl)dimethylamine;2-Dimethylaminoacetonitrile;Glycinonitrile, N,N-dimethyl-;N,N-Dimethylglycinonitrile;EINECS 213-140-4;UN2378;NSC 148364;BRN 1735677;UNII-WU34F15N7C;AI3-22163;WU34F15N7C;CHEBI:88381;NSC-148364;MFCD00001890;dimethylamino-acetonitrile;Dimethylamino acetonitrile;Glycinonitrile,N-dimethyl-;(CH3)2NCH2CN;(Dimethylamino)acetonitrile HCl;WLN: NC1N1&1;CHEMBL2448941;DTXSID0073241;PLXBWEPPAAQASG-UHFFFAOYSA-;Acetonitrilo, 2-(dimetilamino)-;(Dimethylamino)acetonitrile, 97%;EINECS 223-609-5;NA2378;NSC148364;AKOS000179555;NSC 110567;UN 2378;(Dimethylamino)acetonitrile monohydrochloride;D1929;EN300-36240;Q27160226;2-Dimethylaminoacetonitrile [UN2378] [Flammable liquid];2-Dimethylaminoacetonitrile [UN2378] [Flammable liquid]

Chemical Property of Dimethylaminoacetonitrile

Chemical Property:

• Appearance/Colour: Clear colourless liquid
• Vapor Pressure: 760 mm Hg ( 137 °C)
• Melting Point: 135-138 °C
• Refractive Index: n20/D 1.410(lit.)
• Boiling Point: 137.5 °C at 760 mmHg
• PKA: 5.24±0.28(Predicted)
• Flash Point: 33 °C
• PSA: 27.03000
• Density: 0.883 g/cm³
• LogP: 0.07158
• Storage Temp.: Flammables area
• Water Solubility.: soluble
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 84.068748264
• Heavy Atom Count: 6
• Complexity: 66.9
• Transport DOT Label: Flammable Liquid Poison

Purity/Quality:

Dimethylaminoacetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+
• Hazard Codes: T+
• Statements: 10-25-27-36-23/25
• Safety Statements: 16-26-28-36/37-45-38-36/37/39-28A

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CN(C)CC#N

Technology Process of Dimethylaminoacetonitrile

There total 28 articles about Dimethylaminoacetonitrile 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: 94.0%

trimethylsilyl cyanide (7677-24-9) + methoxy bis(dimethylamino)methane (62393-45-7) → N,N-Dimethylamino acetonitrile (926-64-7)

Guidance literature:

In diethyl ether; at 20 ℃;

DOI:10.1016/j.mencom.2009.09.018

Reference yield: 67.0%

sodium cyanide (143-33-9,25596-52-5) + trimethylamine (75-50-3) → N,N-Dimethylamino acetonitrile (926-64-7)

Guidance literature:

With chlorine dioxide; In water; acetonitrile; pH = 12 +/- 0.3;

DOI:10.1021/ja00222a052

Reference yield:

2-dimethylamino-3,3-diphenylbutyronitrile (187335-03-1) → N,N-Dimethylamino acetonitrile (926-64-7) + 1,1'-ethylidenebis-benzene (612-00-0)

Guidance literature:

With para-thiocresol; In 1,3,5-trimethyl-benzene; at 170.5 ℃; Kinetics; Thermodynamic data; other solvents and temp., ΔH(excit.), ΔS(excit.), ΔG(excit.);

DOI:10.1002/jlac.199719970122

upstream raw materials:

hydrogen cyanide

N-bromomethyl-N,N-dimethylamine

N-(chloromethyl)dimethylamine

formaldehyd

Downstream raw materials:

5-methoxygramine

N,N-dimethyl-ethanamine

dimethylaminoacetone

(2-amino-2-hydroxyimino-ethyl)-benzyl-dimethyl-ammonium; chloride

Refernces

• 1、 Ruomeng, Hou,Ying, Jia,Yuanzheng, Huang,Keke, Shen,Huixin, Zhu. "TiO2-reduced graphene oxide for the removal of gas-phase unsymmetrical dimethylhydrazine". . p. 394 - 402. Retrieved 2021/01/11.
• 2、 Nabiev, Orudzh G.,Nabizade, Zargalam O.,Kostyanovsky, Remir G.. "Cyanomethylamines and azidomethylamines: new general methods of the synthesis and transformations". experimental part. p. 281 - 283. Retrieved 2010/01/18.