2-methyl-3-(morpholin-4-yl)propan-1-amine

• ChemBase ID: 270546
• Molecular Formular: C8H18N2O
• Molecular Mass: 158.24132
• Monoisotopic Mass: 158.14191321
• SMILES: N1(CC(CN)C)CCOCC1
• Canonical SMILES: NCC(CN1CCOCC1)C
• InChI: InChI=1S/C8H18N2O/c1-8(6-9)7-10-2-4-11-5-3-10/h8H,2-7,9H2,1H3
• InChIKey: GPXXXZSVLBMZPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09901919
• PubChem SID: 164326456
• PubChem CID: 17609127

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.871366
• LogD (pH = 7.4): -3.0453074
• Log P: -0.28603148
• Molar Refractivity: 46.2942 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.298

Product Information

• Purity: 95%