1-Amino-1-cyclopropanecarbonitrile hydrochloride

Base Information

• Chemical Name: 1-Amino-1-cyclopropanecarbonitrile hydrochloride
• CAS No.: 127946-77-4
• Molecular Formula: C4H7ClN2
• Molecular Weight: 118.566
• Hs Code.: 29269090
• European Community (EC) Number: 629-718-8
• DSSTox Substance ID: DTXSID20561926
• Mol file: 127946-77-4.mol

Synonyms:127946-77-4;1-Amino-1-cyclopropanecarbonitrile hydrochloride;1-Aminocyclopropanecarbonitrile hydrochloride;1-Aminocyclopropanecarbonitrile HCl;1-aminocyclopropane-1-carbonitrile hydrochloride;MFCD04114063;1-Amino-1-cyanocyclopropane hydrochloride;1-aminocyclopropane-1-carbonitrile;hydrochloride;1-amino-1-cyclopropanecarbonitrile HCL;Cyclopropanecarbonitrile, 1-amino-, hydrochloride (1:1);1-Amino-1-cyclopropanecarbonitrile, HCl;1-Aminocyclopropanecarbonitrile hydrochloride (1:1);1-Amino-Cyclopropyl Cyanic Hydrochloride;1-cyanocyclopropanaminium chloride;Cyclopropanecarbonitrile, 1-amino-, monohydrochloride;1-Amino-cyclopropanecarbonitrile hydrochloride;EC 629-718-8;1-aminocyclopropionitrile hcl;SCHEMBL345144;DTXSID20561926;PCEIEQLJYDMRFZ-UHFFFAOYSA-N;1-aminocyclopropanecarbonitrile-HCl;CS-D0921;1-Cyanocyclopropylamine Hydrochloride;AC-863;AKOS005145948;1-Aminocyclopropane-1-carbonitrile HCl;GS-3586;PB48330;1-aminocyclopropanecarbonitrile HCl salt;1-Aminocyclopropyl Cyanide Hydrochloride;SY015717;AM20080205;1-aminocyclopropane-carbonitrile hydrochloride;EN300-78342;1-Amino-1-cyclopropanecarbonitrilehydrochloride;A25580;1-amino-1-cyclopropane carbonitrile hydrochloride;1-amino-1-cyclopropane-carbonitrile hydrochloride;J-504202;1-Amino-1-cyclopropanecarbonitrile hydrochloride, 97%;Z1741972043

Chemical Property of 1-Amino-1-cyclopropanecarbonitrile hydrochloride

Chemical Property:

• Appearance/Colour: White powder
• Vapor Pressure: 0.108mmHg at 25°C
• Melting Point: 223 °C
• Boiling Point: 217.6 °C at 760 mmHg
• Flash Point: 85.4 °C
• PSA: 49.81000
• Density: 1.244 at 20℃
• LogP: 1.50358
• Storage Temp.: Store at 0-5°C
• Water Solubility.: Soluble in water
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 118.0297759
• Heavy Atom Count: 7
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

1-Amino-1-cyclopropanecarbonitrile hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-36-43
• Safety Statements: 26-36/37-45

MSDS Files:

Useful:

• Canonical SMILES: C1CC1(C#N)N.Cl

Technology Process of 1-Amino-1-cyclopropanecarbonitrile hydrochloride

There total 4 articles about 1-Amino-1-cyclopropanecarbonitrile 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: 100.0%

1-<(Diphenylmethylene)-amino>-1-cyclopropanecarbonitrile (89985-88-6) → 1-amino-1-cyclopropanecarbonitrile hydrochloride (127946-77-4)

Guidance literature:

With hydrogenchloride; In diethyl ether; at 18 ℃; for 15h;

DOI:10.1021/jo00301a013

Reference yield: 97.4%

1-nitro-1-cyclopropanenitrile → 1-amino-1-cyclopropanecarbonitrile hydrochloride (127946-77-4)

Guidance literature:

1-nitro-1-cyclopropanenitrile; With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; Inert atmosphere;

With hydrogenchloride; at 0 ℃; Solvent;

Reference yield: 97.0%

N,N-diphenylsulfonylaminocyclopropyl nitrile → 1-amino-1-cyclopropanecarbonitrile hydrochloride (127946-77-4)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 50 ℃;

upstream raw materials:

1-<(Diphenylmethylene)-amino>-1-cyclopropanecarbonitrile

Downstream raw materials:

N₂-[(1R)-1-(4-bromophenyl)-3-cyclopropyl-1-(trifluoromethyl)prop-2-yn-1-yl]-N₁-(1-cyanocyclopropyl)-3-(methylsulfonyl)-L-alaninamide

(S)-N-(1-cyanocyclopropyl)-4,4-difluoro-5-phenyl-2-((S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethylamino)pentanamide

(2S,4R)-4-(4-bromo-2-chloro-benzenesulfonyl)-2-(1-cyano-cyclopropylcarbamoyl)-pyrrolidine-1-carboxylic acid tert-butyl ester

Refernces

• 1、 -. "Preparation method of 1-amino-1-cyclopropanecarbonitrile hydrochloride". Paragraph 0010; 0012; 0014; 0016; 0018; 0020; 0022; 0024. . Retrieved 2018/03/26.
• 2、 -. "DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS". Page/Page column 38-39. . Retrieved 2009/10/30.