Phenylguanidine nitrate

Base Information

• Chemical Name: Phenylguanidine nitrate
• CAS No.: 18860-78-1
• Molecular Formula: C7H10N4O3
• Molecular Weight: 198.181
• Hs Code.: 2925290090
• European Community (EC) Number: 692-292-7
• DSSTox Substance ID: DTXSID00379465
• ChEMBL ID: CHEMBL3357343
• Mol file: 18860-78-1.mol

Synonyms:18860-78-1;Phenylguanidine nitrate;2-Phenylguanidine nitrate;1-Phenylguanidine nitrate;N''-Phenylguanidine nitrate;nitric acid;2-phenylguanidine;Phenylguanidine Nitrate-d5;Nitric acid compound with N''-phenylguanidine (1:1);N''-phenylguanidine;Phenyl guanidine nitrate;N-phenylguanidine nitrate;N-Phenyl-guanidine Nitrate;nitric acid compound with N-phenylguanidine (1:1);SCHEMBL2847797;CHEMBL3357343;DTXSID00379465;DIHKZQUSGDYVOT-UHFFFAOYSA-N;MFCD00213415;AKOS004910791;AKOS015996782;CS-10282;Nitric acid--N''-phenylguanidine (1/1);CS-0318364;FT-0637758;5-AMINO-2-PIPERIDIN-1-YL-BENZOICACID;J-523617

Chemical Property of Phenylguanidine nitrate

Chemical Property:

• Melting Point: 122 °C
• Boiling Point: 290.5 °C at 760 mmHg
• Flash Point: 129.5 °C
• PSA: 130.45000
• LogP: 2.16760
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 198.07529019
• Heavy Atom Count: 14
• Complexity: 146

Purity/Quality:

98%min ^*data from raw suppliers

PhenylguanidineNitrate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N=C(N)N.[N+](=O)(O)[O-]

Technology Process of Phenylguanidine nitrate

There total 3 articles about Phenylguanidine nitrate 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: 90.0%

CYANAMID (420-04-2) + aniline (62-53-3) → phenylguanidine nitrate (18860-78-1)

Guidance literature:

With nitric acid; In ethanol; for 16h; Heating / reflux;

Reference yield:

calcium cyanamide (156-62-7) + anilinium nitrate (542-15-4) → phenylguanidine nitrate (18860-78-1)

Guidance literature:

With water;

DOI:10.1139/v58-107

Reference yield:

→ phenylguanidine nitrate (18860-78-1)

Guidance literature:

upstream raw materials:

calcium cyanamide

anilinium nitrate

CYANAMID

aniline

Refernces

• 1、 Zeiger, Mirco,Stark, Sebastian,Kalden, Elisabeth,Ackermann, Bettina,Ferner, Jan,Scheffer, Ute,Shoja-Bazargani, Fatemeh,Erdel, Veysel,Schwalbe, Harald,G?bel, Michael W.. "Fragment based search for small molecule inhibitors of HIV-1 Tat-TAR". supporting information. p. 5576 - 5580. Retrieved 2015/01/08.
• 2、 Johns, Brian A.,Gudmundsson, Kristjan S.,Turner, Elizabeth M.,Allen, Scott H.,Samano, Vicente A.,Ray, John A.,Freeman, George A.,Boyd Jr., F. Leslie,Sexton, Connie J.,Selleseth, Dean W.,Creech, Katrina L.,Moniri, Kelly R.. "Pyrazolopyridine antiherpetics: SAR of C2′ and C7 amine substituents". . p. 2397 - 2411. Retrieved 2007/10/03.