2-(3-methylmorpholin-4-yl)ethan-1-amine

• ChemBase ID: 270556
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: N1(C(COCC1)C)CCN
• Canonical SMILES: NCCN1CCOCC1C
• InChI: InChI=1S/C7H16N2O/c1-7-6-10-5-4-9(7)3-2-8/h7H,2-6,8H2,1H3
• InChIKey: AKRYVGKRXDTOBA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methylmorpholin-4-yl)ethan-1-amine
• IUPAC Traditional name: 2-(3-methylmorpholin-4-yl)ethanamine
• Synonyms: 2-(3-methylmorpholin-4-yl)ethan-1-amine

Database IDs

• MDL Number: MFCD12134211
• PubChem SID: 164326466
• PubChem CID: 14638235

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.716417
• LogD (pH = 7.4): -2.3612568
• Log P: -0.40873978
• Molar Refractivity: 41.4312 cm^3
• Polarizability: 16.638529 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.108

Product Information

• Purity: 95%