3-amino-N-butylbenzamide

Base Information

• Chemical Name: 3-amino-N-butylbenzamide
• CAS No.: 6837-99-6
• Molecular Formula: C₁₁H₁₆N₂O
• Molecular Weight: 192.261
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID00398893
• Wikidata: Q82201140
• Mol file: 6837-99-6.mol

Synonyms:3-amino-N-butylbenzamide;6837-99-6;Benzamide, m-amino-N-butyl-;Benzamide, 3-amino-N-butyl-;SCHEMBL6258472;DTXSID00398893;MFCD00088668;STL067990;AKOS000148379;NCGC00326041-01;BS-29358;CS-0186766;D97596;AB01321316-02;A867054

Chemical Property of 3-amino-N-butylbenzamide

Chemical Property:

• Melting Point: 112-113 °C
• Boiling Point: 374.3±25.0 °C(Predicted)
• PKA: 15.19±0.46(Predicted)
• PSA: 55.12000
• Density: 1.058±0.06 g/cm3(Predicted)
• LogP: 2.77080
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 192.126263138
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

98%min ^*data from raw suppliers

3-AMINO-N-BUTYLBENZAMIDE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC(=O)C1=CC(=CC=C1)N

Technology Process of 3-amino-N-butylbenzamide

There total 2 articles about 3-amino-N-butylbenzamide 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:

N-butyl-3-nitrobenzamide (70001-47-7) + 3-nitro-N-propylbenzamide (39887-56-4) → N-n-butyl 3-aminobenzamide (6837-99-6)

Guidance literature:

Reference yield:

N-butyl-3-nitrobenzamide (70001-47-7) → N-n-butyl 3-aminobenzamide (6837-99-6)

Guidance literature:

With tin(ll) chloride; In ethanol; Heating;

DOI:10.1016/j.bmcl.2007.10.016

Reference yield:

N-n-butyl 3-aminobenzamide (6837-99-6) + C12H9N4O2S(1-)*Na(1+) → C23H24N6O3

Guidance literature:

With N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In N,N-dimethyl-formamide; at 50 ℃;

DOI:10.1016/S0960-894X(02)00600-5

upstream raw materials:

N-butyl-3-nitrobenzamide

3-nitro-N-propylbenzamide

Downstream raw materials:

C₁₄H₁₉BrN₂O₂

Refernces

• 1、 -. "Thermosensitive recording material and novel color developer compounds". . . Retrieved 2008/06/13.