(1-Amino-2-methylpropylidene)azanium

Base Information

• Chemical Name: (1-Amino-2-methylpropylidene)azanium
• CAS No.: 57536-10-4
• Molecular Formula: C4H10N2
• Molecular Weight: 86.1368
• DSSTox Substance ID: DTXSID30422837
• Wikidata: Q82234894
• Mol file: 57536-10-4.mol

Synonyms:(1-amino-2-methylpropylidene)azanium;DTXSID30422837

Chemical Property of (1-Amino-2-methylpropylidene)azanium

Chemical Property:

• Vapor Pressure: 25.5mmHg at 25°C
• Refractive Index: 1.466
• Boiling Point: 108.8 °C at 760 mmHg
• Flash Point: 19.6 °C
• PSA: 49.87000
• Density: 0.97 g/cm³
• LogP: 1.37840
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 87.092223359
• Heavy Atom Count: 6
• Complexity: 51.1

Purity/Quality:

98% ^*data from raw suppliers

2-METHYL PROPIONAMIDINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C(=[NH2+])N

Technology Process of (1-Amino-2-methylpropylidene)azanium

There total 3 articles about (1-Amino-2-methylpropylidene)azanium 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: 92.0%

Isobutyronitrile (78-82-0) → isobutyramidine (57536-10-4)

Guidance literature:

With trimethylaluminum; ammonium chloride; In toluene; at 20 ℃; for 1.5h;

Isobutyronitrile; In toluene; at 85 ℃; for 9h;

Reference yield:

ethyl isobutyrimidate hydrochloride (52070-18-5) → isobutyramidine (57536-10-4)

Guidance literature:

With ammonia; In ethanol; at 25 ℃; for 72h; Yield given;

DOI:10.1016/0968-0896(96)00148-4

Reference yield:

→ isobutyramidine (57536-10-4)

Guidance literature:

Analog der Butyramidin;

upstream raw materials:

Isobutyronitrile

ethyl isobutyrimidate hydrochloride

Downstream raw materials:

2-isopropyl-6-phenylpyrimidin-4(3H)-one

2-Isopropyl-6-p-tolyl-pyrimidin-4-ol

C₂₂H₂₅N₅O₂

methyl 2-isopropylpyrimidine-5-carboxylate

Refernces

• 1、 Moore, William M.,Webber, R. Keith,Fok, Kam F.,Jerome, Gina M.,Kornmeier, Christine M.,Tjoeng, Foe S.,Currie, Mark G.. "Inhibitors of human nitric oxide synthase isoforms with the carbamidine moiety as a common structural element". . p. 1559 - 1564. Retrieved 2007/10/03.