3-carbamimidoylbenzoic Acid

Base Information

Chemical Name:3-carbamimidoylbenzoic Acid
CAS No.:42823-63-2
Molecular Formula:C8H9ClN2O2
Molecular Weight:200.625
Hs Code.:2925290090
UNII:4HDD4R2AEW
DSSTox Substance ID:DTXSID00962715
Nikkaji Number:J2.090.381C
Wikidata:Q82944461
ChEMBL ID:CHEMBL3247184
Mol file:42823-63-2.mol

Synonyms:3-carbamimidoylbenzoic Acid;52820-49-2;3-CARBAMIMIDOYL-BENZOIC ACID;Ataluren metabolite M2;4HDD4R2AEW;3-(aminoiminomethyl)benzoic acid;UNII-4HDD4R2AEW;Benzoic acid, 3-(aminoiminomethyl)-;CHEMBL3247184;3-amidinobenzoic acid;SCHEMBL431391;DTXSID00962715;BDBM50010247;AKOS006276125;CS-0499230;Cyclopentanecarboxylicacid, 2-hydroxy-, methyl ester, (1R,2S)-rel-

Suppliers and Price of 3-carbamimidoylbenzoic 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

Labseeker
3-(aminoiminomethyl)-benzoic acid HCL 95
25g
$ 3245.00

Labseeker
3-(aminoiminomethyl)-benzoic acid HCL 95
10g
$ 2163.00

Labseeker
3-(aminoiminomethyl)-benzoic acid HCL 95
5g
$ 1228.00

Crysdot
3-Carbamimidoylbenzoicacidhydrochloride 97%
1g
$ 366.00

Atlantic Research Chemicals
3-[Amino(imino)methyl]benzoicacidhydrochloride 95%
50mgs:
$ 70.69

American Custom Chemicals Corporation
3-(AMINOIMINOMETHYL)-BENZOIC ACID HYDROCHLORIDE 95.00%
5G
$ 2243.59

American Custom Chemicals Corporation
3-(AMINOIMINOMETHYL)-BENZOIC ACID HYDROCHLORIDE 95.00%
1G
$ 1273.39

Total 8 raw suppliers

Chemical Property of 3-carbamimidoylbenzoic Acid

Chemical Property:

Vapor Pressure:1.1E-06mmHg at 25°C
Boiling Point:387°C at 760 mmHg
Flash Point:187.9°C
PSA：87.17000
LogP:2.27090
XLogP3:1.1
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:164.058577502
Heavy Atom Count:12
Complexity:203

Purity/Quality:

99%, ^*data from raw suppliers

3-(aminoiminomethyl)-benzoic acid HCL 95 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 3-carbamimidoylbenzoic Acid

There total 1 articles about 3-carbamimidoylbenzoic 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: 82.0%

: 199447-10-4
3-hydroxyamidinobenzoic acid

: 42823-63-2
3-amidinobenzoic acid hydrochloride

Guidance literature:: 3-hydroxyamidinobenzoic acid; With palladium 10% on activated carbon; hydrogen; In water; at 50 ℃; for 20h; under 2585.81 Torr;

With hydrogenchloride; In water;
DOI:10.1016/j.bmc.2011.10.045

Reference yield:

: C₂₇H₃₈N₅O₄Pol

: 42823-63-2
3-amidinobenzoic acid hydrochloride

: C₃₅H₄₄N₇O₅Pol

Guidance literature:: With benzotriazol-1-ol; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In 1-methyl-pyrrolidin-2-one; at 20 ℃; for 1h; solid phase reaction;
DOI:10.1016/j.bmc.2011.10.045