3-Methyl-4-morpholin-4-yl-benzoic acid

Base Information

• Chemical Name: 3-Methyl-4-morpholin-4-yl-benzoic acid
• CAS No.: 197445-65-1
• Molecular Formula: C12H15NO3
• Molecular Weight: 221.25
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID50594222
• Wikidata: Q82489002
• Mol file: 197445-65-1.mol

Synonyms:197445-65-1;3-Methyl-4-morpholin-4-yl-benzoic acid;3-methyl-4-morpholin-4-ylbenzoic acid;3-Methyl-4-morpholinobenzoic acid;3-methyl-4-(morpholin-4-yl)benzoic acid;3-methyl-4-(4-morpholinyl)benzoic acid;Benzoic acid, 3-methyl-4-(4-morpholinyl)-;SCHEMBL2772004;3-Methyl-4-morpholinobenzoicacid;DTXSID50594222;WFJKSKWRBZDCKE-UHFFFAOYSA-N;XHA44565;MFCD08445782;STL412392;AKOS000100723;AS-65035;DA-08594;CS-0118846;EN300-247972;3-methyl-4-morpholin-4-yl-benzoic acid, AldrichCPR;Z959338432

Chemical Property of 3-Methyl-4-morpholin-4-yl-benzoic acid

Chemical Property:

• Vapor Pressure: 1.13E-07mmHg at 25°C
• Boiling Point: 416.2°C at 760 mmHg
• PKA: 4.77±0.10(Predicted)
• Flash Point: 205.5°C
• PSA: 49.77000
• Density: 1.218g/cm³
• LogP: 1.59480
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 221.10519334
• Heavy Atom Count: 16
• Complexity: 251

Purity/Quality:

98% ^*data from raw suppliers

3-Methyl-4-morpholin-4-yl-benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC(=C1)C(=O)O)N2CCOCC2