4-(Boc-amino)tetrahydrothiopyran-4-carboxylic acid

Base Information

• Chemical Name: 4-(Boc-amino)tetrahydrothiopyran-4-carboxylic acid
• CAS No.: 108329-81-3
• Molecular Formula: C11H19NO4S
• Molecular Weight: 261.342
• Hs Code.: 2934999090
• European Community (EC) Number: 856-983-9
• DSSTox Substance ID: DTXSID70361473
• Wikidata: Q82143816
• Mol file: 108329-81-3.mol

Synonyms:108329-81-3;4-(Boc-amino)tetrahydrothiopyran-4-carboxylic acid;4-[(2-methylpropan-2-yl)oxycarbonylamino]thiane-4-carboxylic Acid;4-{[(tert-butoxy)carbonyl]amino}thiane-4-carboxylic acid;4-((tert-Butoxycarbonyl)amino)tetrahydro-2H-thiopyran-4-carboxylic acid;4-N-BOC-AMINO-4-CARBOXYTETRAHYDROTHIOPYRAN;SCHEMBL2085827;DTXSID70361473;AKOS013464690;AB12379;BOC-AMINO-4-CARBOXYTETRAHYDROTHIOPYRAN;CS-0231107;EN300-1071120;J-002117;Z1200998688;4-(Boc-amino)tetrahydrothiopyran-4-carboxylic acid, >=95.0% (TLC);4-((tert-Butoxycarbonyl)amino)tetrahydro-2H-thiopyran-4-carboxylicacid;4-TERT-BUTOXYCARBONYLAMINO-TETRAHYDRO-THIOPYRAN-4-CARBOXYLIC ACID;2H-Thiopyran-4-carboxylicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]tetrahydro-

Chemical Property of 4-(Boc-amino)tetrahydrothiopyran-4-carboxylic acid

Chemical Property:

• Appearance/Colour: Almost white powder
• Vapor Pressure: 8.24E-09mmHg at 25°C
• Melting Point: 170-174 °C
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 435.7 °C at 760 mmHg
• PKA: 3.73±0.20(Predicted)
• Flash Point: 217.3 °C
• PSA: 100.93000
• Density: 1.23 g/cm³
• LogP: 2.25240
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 261.10347926
• Heavy Atom Count: 17
• Complexity: 305

Purity/Quality:

98%min ^*data from raw suppliers

Boc-Amino-4-carboxytetrahydrothiopyran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC1(CCSCC1)C(=O)O