3-Methylbutanimidamide hydrochloride

Base Information

• Chemical Name: 3-Methylbutanimidamide hydrochloride
• CAS No.: 57297-27-5
• Molecular Formula: C5H12N2.ClH
• Molecular Weight: 136.62300
• DSSTox Substance ID: DTXSID30596966
• Mol file: 57297-27-5.mol

Synonyms:3-Methylbutanimidamide hydrochloride;57297-27-5;3-methylbutanimidamide;hydrochloride;MFCD10697953;3-Methyl-butyramidine HCl;3-Methylbutanimidamide HCl;isovaleramidine hydrochloride;SCHEMBL1025428;isopropylacetamidine hydrochloride;DTXSID30596966;3-Methylbutanimidamidehydrochloride;SYMBJSDZFDGMCY-UHFFFAOYSA-N;AKOS026672165;AB60903;BS-38363;SY020383;butanimidamide, 3-methyl-, monohydrochloride;EN300-100194;G19799;3-Methylbutanimidamide--hydrogen chloride (1/1);A918399;Z1346385639

Chemical Property of 3-Methylbutanimidamide hydrochloride

Chemical Property:

• Melting Point: 89 °C
• PSA: 49.87000
• LogP: 2.57050
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.0767261
• Heavy Atom Count: 8
• Complexity: 66.5

Purity/Quality:

97% ^*data from raw suppliers

3-methylbutanimidamidehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(=N)N.Cl

Technology Process of 3-Methylbutanimidamide hydrochloride

There total 4 articles about 3-Methylbutanimidamide hydrochloride 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:

ethyl 3-methylbutanimidate hydrochloride → isobutylcarbamidine hydrochloride (57297-27-5)

Guidance literature:

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

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

Reference yield:

Isovaleronitrile (625-28-5) → isobutylcarbamidine hydrochloride (57297-27-5)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl(g) / 18 h / 25 °C

2: NH₃ / ethanol / 72 h / 25 °C

With hydrogenchloride; ammonia; In ethanol;

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

Reference yield:

→ isobutylcarbamidine hydrochloride (57297-27-5)

Guidance literature:

With ethanol; ammonia;

upstream raw materials:

Isovaleronitrile

Downstream raw materials:

6-isobutyl-[1,3,5]triazine-2,4-diamine

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