3-Amino-2-methylpropanenitrile

Base Information

• Chemical Name: 3-Amino-2-methylpropanenitrile
• CAS No.: 96-16-2
• Deprecated CAS: 60585-33-3
• Molecular Formula: C4H8N2
• Molecular Weight: 84.1209
• Hs Code.: 2926909090
• European Community (EC) Number: 202-484-0
• UNII: 486UYT9QQS
• DSSTox Substance ID: DTXSID70275768,DTXSID70883286
• Nikkaji Number: J182.113J
• Wikidata: Q27259117
• Mol file: 96-16-2.mol

Synonyms:3-amino-2-methylpropanenitrile;96-16-2;2-Cyanopropylamine;Propanenitrile, 3-amino-2-methyl-;3-Amino-2-methylpropiononitrile;UNII-486UYT9QQS;486UYT9QQS;EINECS 202-484-0;DTXSID70275768;DTXSID70883286;.BETA.-AMINOISOBUTYRONITRILE;MFCD11651462;2-METHYL-3-AMINOPROPIONITRILE;3-AMINO-2-METHYLPROPIONITRILE;AKOS009132112;CS-0253541;EN300-64674;F89582;Q27259117;60585-33-3

Chemical Property of 3-Amino-2-methylpropanenitrile

Chemical Property:

• Vapor Pressure: 0.662mmHg at 25°C
• Refractive Index: 1.434
• Boiling Point: 186.5 °C at 760 mmHg
• Flash Point: 66.6 °C
• PSA: 49.81000
• Density: 0.914 g/cm³
• LogP: 0.80508
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 84.068748264
• Heavy Atom Count: 6
• Complexity: 68.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CN)C#N

Technology Process of 3-Amino-2-methylpropanenitrile

There total 2 articles about 3-Amino-2-methylpropanenitrile 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:

methacrylonitrile (126-98-7,25067-61-2) → (RS)-2-methyl-3-aminopropionitrile (96-16-2)

Guidance literature:

With ammonia; water; at 135 ℃;

Reference yield:

→ (RS)-2-methyl-3-aminopropionitrile (96-16-2)

Guidance literature:

Methacrylonitril, 40percentig.wss.NH3, 100grad (Autoklav);

Reference yield: 43.0%

(RS)-2-methyl-3-aminopropionitrile (96-16-2) + 4-hydroxy-1-methyl-7-phenoxyisoquinolinyl-3-carboxylic acid methyl ester (1421312-34-6) → N-(2-cyanopropyl)-4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxamide

Guidance literature:

With dmap; In methanol; at 100 ℃; Sealed tube;

upstream raw materials:

methacrylonitrile

Downstream raw materials:

N-(2-Cyano-2-methyl-ethyl)-2-methyl-3,5-dinitro-benzamide

2-Chloro-N-(2-cyano-2-methyl-ethyl)-4-nitro-benzamide

N-(2-Benzoyl-4-chloro-phenyl)-2-(2-cyano-2-methyl-ethylamino)-acetamide