(3S)-3-(prop-2-en-1-yl)morpholine

• ChemBase ID: 796574
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: [C@@H]1(COCCN1)CC=C
• Canonical SMILES: C=CC[C@H]1COCCN1
• InChI: InChI=1S/C7H13NO/c1-2-3-7-6-9-5-4-8-7/h2,7-8H,1,3-6H2/t7-/m0/s1
• InChIKey: ONQMFQLWXIJVPR-ZETCQYMHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-(prop-2-en-1-yl)morpholine
• IUPAC Traditional name: (3S)-3-(prop-2-en-1-yl)morpholine
• Synonyms: (S)-3-AllylMorpholine

Database IDs

• CAS Number: 1251751-03-7

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2116728
• LogD (pH = 7.4): -0.579482
• Log P: 0.6682992
• Molar Refractivity: 37.3558 cm^3
• Polarizability: 14.872782 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%