4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid

Base Information

• Chemical Name: 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
• CAS No.: 532391-89-2
• Molecular Formula: C10H11NO3
• Molecular Weight: 193.202
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID70383615
• Wikidata: Q27458617
• Mol file: 532391-89-2.mol

Synonyms:532391-89-2;4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylic acid;4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid;4-methyl-2,3-dihydro-1,4-benzoxazine-7-carboxylic acid;2H-1,4-Benzoxazine-7-carboxylic acid, 3,4-dihydro-4-methyl-;4-Methyl-2,3-dihydro-2H-1,4-benzoxazine-7-carboxylic acid;SDCCGMLS-0065976.P001;SCHEMBL2064097;DTXSID70383615;XWYHWMDBIRZPFG-UHFFFAOYSA-N;MFCD02682041;AKOS006282083;CS-16380;CS-0096421;FT-0745530;D75739;A850503;J-515738;Q27458617;3,4-Dihydro-4-methyl-2H-1,4-benzoxazine-7-carboxylic acid;4-methyl-3,4-dihydro-2h-benzo[1,4]oxazine-7-carboxylic acid;4-Methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-7-carboxylicacid;4-Methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid, AldrichCPR;N-BOC-3-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE-2-CARBOXYLICACID

Chemical Property of 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid

Chemical Property:

• Melting Point: 195 °C
• Boiling Point: 386.0±42.0 °C(Predicted)
• PKA: 5.00±0.20(Predicted)
• PSA: 49.77000
• Density: 1.280±0.06 g/cm3(Predicted)
• LogP: 1.27840
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly, Heated), DMSO (Slightly)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 193.07389321
• Heavy Atom Count: 14
• Complexity: 231

Purity/Quality:

97% ^*data from raw suppliers

4-Methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCOC2=C1C=CC(=C2)C(=O)O