3-Amino-4-(butylamino)benzoic acid

Base Information

• Chemical Name: 3-Amino-4-(butylamino)benzoic acid
• CAS No.: 120337-90-8
• Molecular Formula: C₁₁H₁₆N₂O₂
• Molecular Weight: 208.26
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID00468409
• Nikkaji Number: J926.140K
• Wikidata: Q82295590
• Mol file: 120337-90-8.mol

Synonyms:3-Amino-4-(butylamino)benzoic acid;120337-90-8;Benzoic acid, 3-amino-4-(butylamino)- (9CI);3-amino-4-butylamino-benzoic Acid;SCHEMBL9525197;DTXSID00468409;YIFVEIGEGOLPSZ-UHFFFAOYSA-N;3-Amino-4-(butylamino)benzoicacid;AKOS010216349;SB78525;CS-0297700;EN300-1116065

Chemical Property of 3-Amino-4-(butylamino)benzoic acid

Chemical Property:

• PSA: 75.35000
• LogP: 2.83320
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 208.121177757
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

99% ^*data from raw suppliers

3-Amino-4-(butylamino)benzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCNC1=C(C=C(C=C1)C(=O)O)N

Technology Process of 3-Amino-4-(butylamino)benzoic acid

There total 1 articles about 3-Amino-4-(butylamino)benzoic acid 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:

4-(butylamino)-3-nitrobenzoic acid (120321-65-5) → 3-amino-4-(butylamino)benzoic acid (120337-90-8)

Guidance literature:

aluminum nickel; In methanol;

Reference yield:

3-amino-4-(butylamino)benzoic acid (120337-90-8) → 1-butyl-1H-benzotriazole-5-carboxylic acid (120321-66-6)

Guidance literature:

With hydrogenchloride; sodium nitrite; In water;

upstream raw materials:

4-(butylamino)-3-nitrobenzoic acid

Downstream raw materials:

1-butyl-1H-benzotriazole-5-carboxylic acid