tert-butyl (2S)-2-methoxymorpholine-4-carboxylate

• ChemBase ID: 301583
• Molecular Formular: C10H19NO4
• Molecular Mass: 217.26216
• Monoisotopic Mass: 217.13140809
• SMILES: CC(C)(C)OC(=O)N1CCO[C@@H](C1)OC
• Canonical SMILES: CO[C@H]1OCCN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H19NO4/c1-10(2,3)15-9(12)11-5-6-14-8(7-11)13-4/h8H,5-7H2,1-4H3/t8-/m0/s1
• InChIKey: BTWWKHKGERFPFS-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (2S)-2-methoxymorpholine-4-carboxylate
• IUPAC Traditional name: tert-butyl (2S)-2-methoxymorpholine-4-carboxylate
• Synonyms: (S)-N-Boc-2-hydroxymethylmorpholine

Database IDs

• CAS Number: 135065-76-8
• MDL Number: MFCD09260606

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1507167
• LogD (pH = 7.4): 1.1507167
• Log P: 1.1507167
• Molar Refractivity: 54.5441 cm^3
• Polarizability: 21.77694 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 98%