4-Amino-benzoic acid 1H-benzoimidazol-2-ylmethyl ester

Base Information

• Chemical Name: 4-Amino-benzoic acid 1H-benzoimidazol-2-ylmethyl ester
• CAS No.: 435342-18-0
• Molecular Formula: C15H13N3O2
• Molecular Weight: 267.2826
• DSSTox Substance ID: DTXSID90349470
• Wikidata: Q82124725
• ChEMBL ID: CHEMBL1508192
• Mol file: 435342-18-0.mol

Synonyms:435342-18-0;4-Amino-benzoic acid 1H-benzoimidazol-2-ylmethyl ester;1H-benzimidazol-2-ylmethyl 4-aminobenzoate;(1H-Benzo[d]imidazol-2-yl)methyl 4-aminobenzoate;ChemDiv2_000280;Oprea1_053384;Oprea1_607964;MLS000031328;SCHEMBL2610237;CHEMBL1508192;DTXSID90349470;HMS1369M16;HMS2185M15;AKOS000300845;SMR000012320;(1H-Benzimidazol-2-yl)methyl 4-aminobenzoate;(1H-Benzo[d]imidazol-2-yl)methyl4-aminobenzoate;SR-01000393910;SR-01000393910-1;4-amino-benzoic acid1h-benzoimidazol-2-ylmethyl ester;4-aminobenzoic acid 1h-benzo[d]imidazol-2-ylmethyl ester

Chemical Property of 4-Amino-benzoic acid 1H-benzoimidazol-2-ylmethyl ester

Chemical Property:

• Vapor Pressure: 6.42E-14mmHg at 25°C
• Boiling Point: 590.5°Cat760mmHg
• Flash Point: 310.9°C
• PSA: 81.00000
• Density: 1.363g/cm³
• LogP: 3.08330
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 267.100776666
• Heavy Atom Count: 20
• Complexity: 342

Purity/Quality:

98%min ^*data from raw suppliers

4-Amino-benzoic acid 1H-benzoimidazol-2-ylmethylester hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(=N2)COC(=O)C3=CC=C(C=C3)N