4-(Dimethylamino)butyronitrile

Base Information

• Chemical Name: 4-(Dimethylamino)butyronitrile
• CAS No.: 13989-82-7
• Molecular Formula: C6H12 N2
• Molecular Weight: 112.175
• Hs Code.: 2926909090
• European Community (EC) Number: 237-788-2
• NSC Number: 163159
• UNII: N28RPK45GM
• DSSTox Substance ID: DTXSID40161189
• Nikkaji Number: J132.808E
• Wikidata: Q72468865
• ChEMBL ID: CHEMBL2448943
• Mol file: 13989-82-7.mol

Synonyms:4-(Dimethylamino)butanenitrile;4-(Dimethylamino)butyronitrile;13989-82-7;Butanenitrile, 4-(dimethylamino)-;4-DIMETHYLAMINOBUTYRONITRILE;Butyronitrile, 4-(dimethylamino)-;N28RPK45GM;EINECS 237-788-2;MFCD00019892;NSC-163159;NSC163159;UNII-N28RPK45GM;SCHEMBL150143;YSZC2145;CHEMBL2448943;4-(Dimethylamino)butanenitrile #;DTXSID40161189;4-(N,N-dimethylamino)butyronitrile;AC1843;AKOS000177094;NSC 163159;SB75560;DS-16279;SY028278;CS-0151288;D4546;FT-0636986;A18193;EN300-130688;Z168912116

Chemical Property of 4-(Dimethylamino)butyronitrile

Chemical Property:

• Vapor Pressure: 0.85mmHg at 25°C
• Refractive Index: 1.4276 (589.3 nm 20℃)
• Boiling Point: 181.5°Cat760mmHg
• PKA: 9.04±0.28(Predicted)
• Flash Point: 60°C
• PSA: 27.03000
• Density: 0.874g/cm³
• LogP: 0.85178
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 112.100048391
• Heavy Atom Count: 8
• Complexity: 87.9

Purity/Quality:

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

4-(Dimethylamino)butyronitrile ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCCC#N

Technology Process of 4-(Dimethylamino)butyronitrile

There total 10 articles about 4-(Dimethylamino)butyronitrile 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: 97.0%

N-methylmethanamine hydrochloride + 4-bromobutanenitrile (5332-06-9) → 4-dimethylaminobutyronitrile (13989-82-7)

Guidance literature:

With potassium carbonate; potassium iodide; In acetonitrile; at 50 ℃; for 16h;

Reference yield: 50.0%

→ 4-dimethylaminobutyronitrile (13989-82-7)

Guidance literature:

Reference yield: 33.0%

N,N-dimethylammonium chloride (506-59-2) + 4-bromobutanenitrile (5332-06-9) → 4-dimethylaminobutyronitrile (13989-82-7)

Guidance literature:

N,N-dimethylammonium chloride; 4-bromobutanenitrile; With potassium carbonate; potassium iodide; In acetonitrile; at 50 ℃; for 14h;

With sodium hydroxide; In water; acetonitrile;

DOI:10.1016/j.ejmech.2009.09.026

upstream raw materials:

4-Chlorobutyronitrile

dimethyl amine

2-cyano-4-dimethylamino-butyric acid ethyl ester

4-bromobutanenitrile

Downstream raw materials:

Ethyl-<3-cyan-propyl>-dimethylammonium

<3-Cyan-propyl>-dimethyl-propylammonium

<3-Cyan-propyl>-trimethylammonium

solamine

Refernces

• 1、 Zelenin,K.N.,Kamerdinerov,V.G.. "-". . . Retrieved 1968.
• 2、 -. "1,1-dioxo-2h-1,2-benzothiazine-3-carboxamide derivatives,method for preparing same and pharmaceutical compositions comprising same". Page/Page column 4. . Retrieved 2008/06/13.