Pentanimidamide Hydrochloride

Base Information

• Chemical Name: Pentanimidamide Hydrochloride
• CAS No.: 18257-46-0
• Molecular Formula: C5H12N2·ClH
• Molecular Weight: 136.625
• Hs Code.: 2925290090
• European Community (EC) Number: 819-303-1
• DSSTox Substance ID: DTXSID60469457
• Mol file: 18257-46-0.mol

Synonyms:Pentanimidamide Hydrochloride;18257-46-0;Pentanimidamide, HCl;pentanimidamide;hydrochloride;Pentanimidamide, hydrochloride (1:1);MFCD11052491;Pentanimidamide, monohydrochloride;PentanimidamideHydrochloride;Pentanimidamide HCl;valeramidine hydrochloride;SCHEMBL3228;DTXSID60469457;FFHQVTXPIOPINO-UHFFFAOYSA-N;BCP11276;Pentanimidamide hydrochloride (1:1);AKOS016008980;SY020382;CS-0122242;EN300-142139;A854846;pentanamidine hydrochloride;Z1723418909

Chemical Property of Pentanimidamide Hydrochloride

Chemical Property:

• Boiling Point: 141.9 °C at 760 mmHg
• Flash Point: 39.6 °C
• PSA: 49.87000
• LogP: 2.71460
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 136.0767261
• Heavy Atom Count: 8
• Complexity: 59.1

Purity/Quality:

97% ^*data from raw suppliers

Pentanimidamidehydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=N)N.Cl

Technology Process of Pentanimidamide Hydrochloride

There total 4 articles about Pentanimidamide 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: 94.0%

pentanonitrile (110-59-8) → pentanamidine hydrochloride (18257-46-0)

Guidance literature:

pentanonitrile; With hydrogenchloride; In methanol; at 0 - 10 ℃; for 9h;

With ammonia; In methanol; at 0 - 20 ℃; pH=8.5;

Reference yield:

→ pentanamidine hydrochloride (18257-46-0)

Guidance literature:

With ethanol; ammonia;

DOI:10.1007/BF02864543

Reference yield:

methanol (67-56-1) + methyl pentanimidate hydrochloride (39739-46-3) → pentanamidine hydrochloride (18257-46-0)

Guidance literature:

In ammonia;

upstream raw materials:

methanol

methyl pentanimidate hydrochloride

ethyl valerimidate hydrochloride

pentanonitrile

Downstream raw materials:

2-butyl-4-methyl-1,6-dihydro-6-pyrimidone

2-butyl-5-hydroxymethyl-1H-imidazole

2-Butyl-6-methyl-4-phenyl-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester

2-Butyl-4-(4-chloro-phenyl)-6-methyl-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester