methyl[2-(morpholin-4-yl)ethyl]amine

• ChemBase ID: 268589
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: N1(CCNC)CCOCC1
• Canonical SMILES: CNCCN1CCOCC1
• InChI: InChI=1S/C7H16N2O/c1-8-2-3-9-4-6-10-7-5-9/h8H,2-7H2,1H3
• InChIKey: WWXPJKGWWPWBTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(morpholin-4-yl)ethyl]amine
• IUPAC Traditional name: methyl[2-(morpholin-4-yl)ethyl]amine
• Synonyms: N-methyl-2-morpholin-4-ylethanamine; methyl[2-(morpholin-4-yl)ethyl]amine; METHYL-(2-MORPHOLIN-4-YL-ETHYL)-AMINE

Database IDs

• CAS Number: 41239-40-1
• MDL Number: MFCD09864245
• PubChem SID: 164324499
• PubChem CID: 14979282

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.6886852
• LogD (pH = 7.4): -2.8524246
• Log P: -0.3927344
• Molar Refractivity: 41.787 cm^3
• Polarizability: 16.638529 Å^3
• Polar Surface Area: 24.5 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.045

Product Information

• Purity: 95%; 98%