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

• ChemBase ID: 813797
• Molecular Formular: C11H22N2O3
• Molecular Mass: 230.30398
• Monoisotopic Mass: 230.16304257
• SMILES: C1[C@@H](OCCN1C(=O)OC(C)(C)C)CCN
• Canonical SMILES: NCC[C@@H]1OCCN(C1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C11H22N2O3/c1-11(2,3)16-10(14)13-6-7-15-9(8-13)4-5-12/h9H,4-8,12H2,1-3H3/t9-/m0/s1
• InChIKey: MKXWMSTYBUMLOC-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1260593-51-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8170683
• LogD (pH = 7.4): -2.1382973
• Log P: 0.19455713
• Molar Refractivity: 61.2484 cm^3
• Polarizability: 24.405922 Å^3
• Polar Surface Area: 64.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%