3-amino-N'-hydroxybenzene-1-carboximidamide

Base Information

• Chemical Name: 3-amino-N'-hydroxybenzene-1-carboximidamide
• CAS No.: 100524-07-0
• Molecular Formula: C7H9N3O
• Molecular Weight: 151.168
• Hs Code.: 2925290090
• European Community (EC) Number: 680-954-8
• Mol file: 100524-07-0.mol

Synonyms:100524-07-0;3-amino-benzamide oxime;3-amino-N'-hydroxybenzenecarboximidamide;3-amino-N'-hydroxybenzene-1-carboximidamide;3-Amino-N'-hydroxybenzimidamide;3-Aminobenzamide oxime;3-Amino-N-hydroxybenzimidamide;Benzenecarboximidamide, 3-amino-N-hydroxy-;3-Aminobenzamidoxime;SCHEMBL2481253;SCHEMBL17730485;BBL030895;MFCD08061150;STK359389;AKOS000129850;MCULE-8987932165;Benzenecarboximidamide,3-amino-N-hydroxy-;VS-10104;CS-0063228;EN300-53841;A13881;(Z)-3-amino-N'-hydroxybenzene-1-carboximidamide;Z364003720

Chemical Property of 3-amino-N'-hydroxybenzene-1-carboximidamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 101-105℃
• Refractive Index: 1.632
• Boiling Point: 413.798 °C at 760 mmHg
• PKA: 6.97±0.69(Predicted)
• Flash Point: 204.058 °C
• PSA: 84.63000
• Density: 1.348 g/cm³
• LogP: 1.64480
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 151.074561919
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

99% ^*data from raw suppliers

3-Aminobenzamide oxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-36/37/38
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)C(=NO)N
• Isomeric SMILES: C1=CC(=CC(=C1)N)/C(=N/O)/N
• Description: 3-amino Benzamidoxime is a synthetic intermediate useful for pharmaceutical synthesis.

Technology Process of 3-amino-N'-hydroxybenzene-1-carboximidamide

There total 4 articles about 3-amino-N'-hydroxybenzene-1-carboximidamide 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: 87.0%

m-cyanoaniline (2237-30-1) → 3-amino-N'-hydroxybenzenecarboximidamide (100524-07-0)

Guidance literature:

With hydroxylamine; In ethanol; water; for 3h; Reflux; Inert atmosphere;

DOI:10.1021/ol403645y

Reference yield:

m-nitrobenzamide oxime (5023-94-9) → 3-amino-N'-hydroxybenzenecarboximidamide (100524-07-0)

Guidance literature:

With hydrogenchloride; tin(ll) chloride;

Reference yield:

m-cyanoaniline (2237-30-1) → 3-amino-N-hydroxybenzenecarboximidamide (100524-07-0)

Guidance literature:

With hydroxylamine hydrochloride; potassium carbonate; In ethanol; for 22h; Heating / reflux;

upstream raw materials:

m-nitrobenzamide oxime

m-cyanoaniline

Refernces

• 1、 -. "HETEROARYL-PYRAZOLE DERIVATIVE". Paragraph 0518; 0519; 0520; 0525; 0526. . Retrieved 2013/06/05.
• 2、 Borg, S.,Luthman, K.,Nyberg, F.,Terenius, L.,Hacksell, U.. "1,2,4-Oxadiazole derivatives of phenylalanine: potential inhibitors of substance P endopeptidase". . p. 801 - 810. Retrieved 2007/10/02.