4-(hexylamino)benzoic Acid

Base Information

Chemical Name:4-(hexylamino)benzoic Acid
CAS No.:55791-76-9
Molecular Formula:C13H19NO2
Molecular Weight:221.299
Hs Code.:
DSSTox Substance ID:DTXSID10384287
Nikkaji Number:J2.316.245H
Wikidata:Q82176305
ChEMBL ID:CHEMBL27745
Mol file:55791-76-9.mol

Synonyms:4-(hexylamino)benzoic Acid;55791-76-9;4-(N-HEXYLAMINO)BENZOIC ACID;4-(N-HEXYLAMINO)BENZOICACID;4-Hexylamino-benzoic acid;4-n-hexylamino-benzoic acid;CHEMBL27745;SCHEMBL2309354;DTXSID10384287

Suppliers and Price of 4-(hexylamino)benzoic Acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 4-(hexylamino)benzoic Acid

Chemical Property:

Refractive Index:1.5175 (estimate)
Boiling Point:362.36°C (rough estimate)
PSA：49.33000
Density:1.0451 (rough estimate)
LogP:3.45000
Water Solubility.:23.02mg/L(37 oC)
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:221.141578849
Heavy Atom Count:16
Complexity:198

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCNC1=CC=C(C=C1)C(=O)O

Technology Process of 4-(hexylamino)benzoic Acid

There total 10 articles about 4-(hexylamino)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: 87.0%

: 55791-77-0
ethyl 4-(hexylamino)benzoate

: 55791-76-9
N-hexyl-4-aminobenzoic acid

Guidance literature:: With potassium hydroxide; In ethanol; for 5h; Heating;
DOI:10.1021/jm00364a009

Reference yield: 45.0%

: 1126-46-1
Methyl 4-chlorobenzoate

: 111-26-2
hexan-1-amine

: 55791-76-9
N-hexyl-4-aminobenzoic acid

: 197172-67-1
N-(4-methoxycarbonylphenyl)-n-hexylamine

Guidance literature:: With potassium hydroxide; johnphos; palladium diacetate; In toluene; at 100 ℃; for 0.5h; microwave irradiation;
DOI:10.1016/j.tet.2008.03.028

Reference yield:

: 197172-67-1
N-(4-methoxycarbonylphenyl)-n-hexylamine

: 55791-76-9
N-hexyl-4-aminobenzoic acid

Guidance literature:: N-(4-methoxycarbonylphenyl)-n-hexylamine; With methanol; sodium hydroxide; water; at 50 ℃; for 24h;

With hydrogenchloride; In water; at 0 ℃;