1-amino-2-methyl-3-(morpholin-4-yl)propan-2-ol

• ChemBase ID: 279111
• Molecular Formular: C8H18N2O2
• Molecular Mass: 174.24072
• Monoisotopic Mass: 174.13682783
• SMILES: N1(CC(O)(CN)C)CCOCC1
• Canonical SMILES: NCC(CN1CCOCC1)(O)C
• InChI: InChI=1S/C8H18N2O2/c1-8(11,6-9)7-10-2-4-12-5-3-10/h11H,2-7,9H2,1H3
• InChIKey: ROTRGLQATVPTTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-2-methyl-3-(morpholin-4-yl)propan-2-ol
• IUPAC Traditional name: 1-amino-2-methyl-3-(morpholin-4-yl)propan-2-ol
• Synonyms: 1-amino-2-methyl-3-(morpholin-4-yl)propan-2-ol

Database IDs

• MDL Number: MFCD20233596
• PubChem SID: 164335021
• PubChem CID: 54595146

CALCULATED PROPERTIES

• Acid pKa: 14.335055
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.258291
• LogD (pH = 7.4): -3.388297
• Log P: -1.175073
• Molar Refractivity: 47.6131 cm^3
• Polarizability: 19.106642 Å^3
• Polar Surface Area: 58.72 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.76

Product Information

• Purity: 95%