(3S)-3-(2-methylpropyl)morpholine

• ChemBase ID: 802748
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: [C@@H]1(COCCN1)CC(C)C
• Canonical SMILES: CC(C[C@@H]1NCCOC1)C
• InChI: InChI=1S/C8H17NO/c1-7(2)5-8-6-10-4-3-9-8/h7-9H,3-6H2,1-2H3/t8-/m0/s1
• InChIKey: INIRYZSIQPENMR-QMMMGPOBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-(2-methylpropyl)morpholine
• IUPAC Traditional name: (3S)-3-(2-methylpropyl)morpholine
• Synonyms: (S)-3-ISOBUTYLMORPHOLINE

Database IDs

• CAS Number: 77897-22-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.670654
• LogD (pH = 7.4): -0.0755697
• Log P: 1.2593063
• Molar Refractivity: 41.8603 cm^3
• Polarizability: 16.955612 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%