CID 11861961

Base Information

• Chemical Name: CID 11861961
• CAS No.: 63216-49-9
• Molecular Formula: C12H21 N O4
• Molecular Weight: 243.3
• Hs Code.: 29224985
• European Community (EC) Number: 834-867-9
• DSSTox Substance ID: DTXSID70979239

Synonyms:63216-49-9;DTXSID70979239;2-{[tert-Butoxy(hydroxy)methylidene]amino}cyclohexane-1-carboxylate

Chemical Property of CID 11861961

Chemical Property:

• Vapor Pressure: 2.12E-07mmHg at 25°C
• Melting Point: 127-131 °C
• Refractive Index: 1.4596 (estimate)
• Boiling Point: 396.7°C at 760 mmHg
• PKA: 4.86±0.44(Predicted)
• Flash Point: 194 °C
• PSA: 75.63000
• Density: 1.12g/cm³
• LogP: 2.54540
• Storage Temp.: 2-8°C
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 242.13923312
• Heavy Atom Count: 17
• Complexity: 290

Purity/Quality:

99%, ^*data from raw suppliers

Boc-cis-2-aminocyclohexanecarboxylicacid ^*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)NC1CCCCC1C(=O)[O-]
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)[O-]

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