4-(2-aminopyrimidin-5-yl)benzoic Acid

Base Information

• Chemical Name: 4-(2-aminopyrimidin-5-yl)benzoic Acid
• CAS No.: 222987-21-5
• Molecular Formula: C11H9N3O2
• Molecular Weight: 215.21
• Hs Code.: 2933599090
• DSSTox Substance ID: DTXSID50459807
• Nikkaji Number: J1.308.238C
• Wikidata: Q72441813
• Mol file: 222987-21-5.mol

Synonyms:4-(2-aminopyrimidin-5-yl)benzoic Acid;222987-21-5;SCHEMBL1867850;YSWG1001;DTXSID50459807;AHHQGKDKFINLBL-UHFFFAOYSA-N;MFCD05864814;4-(2-amino-5-pyrimidyl)benzoic acid;AKOS015854815;SB60692;TS-00455;CS-0379119;FT-0692297;A878616;4-(2-aminopyrimidin-5-yl)benzoic acid, AldrichCPR

Chemical Property of 4-(2-aminopyrimidin-5-yl)benzoic Acid

Chemical Property:

• Vapor Pressure: 5.99E-12mmHg at 25°C
• Refractive Index: 1.668
• Boiling Point: 527.3 °C at 760 mmHg
• Flash Point: 272.7 °C
• PSA: 89.10000
• Density: 1.379 g/cm³
• LogP: 2.00520
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 215.069476538
• Heavy Atom Count: 16
• Complexity: 244

Purity/Quality:

98%min ^*data from raw suppliers

4-(2-Aminopyrimidin-5-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CN=C(N=C2)N)C(=O)O