tert-butyl (2S)-2-(bromomethyl)morpholine-4-carboxylate

• ChemBase ID: 294922
• Molecular Formular: C10H18BrNO3
• Molecular Mass: 280.15882
• Monoisotopic Mass: 279.04700544
• SMILES: CC(C)(C)OC(=O)N1CCO[C@H](CBr)C1
• Canonical SMILES: BrC[C@H]1OCCN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C10H18BrNO3/c1-10(2,3)15-9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3/t8-/m1/s1
• InChIKey: RLXCSEPIBOWMOJ-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (2S)-2-(bromomethyl)morpholine-4-carboxylate
• IUPAC Traditional name: tert-butyl (2S)-2-(bromomethyl)morpholine-4-carboxylate
• Synonyms: (S)-tert-Butyl 2-(bromomethyl)morpholine-4-carboxylate

Database IDs

• CAS Number: 919286-71-8
• MDL Number: MFCD20489339
• PubChem SID: 180680453
• PubChem CID: 69388802

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7815663
• LogD (pH = 7.4): 1.7815663
• Log P: 1.7815663
• Molar Refractivity: 60.76 cm^3
• Polarizability: 23.880861 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%