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

• ChemBase ID: 236623
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(CC(N)C(C)C)CCOCC1
• Canonical SMILES: NC(C(C)C)CN1CCOCC1
• InChI: InChI=1S/C9H20N2O/c1-8(2)9(10)7-11-3-5-12-6-4-11/h8-9H,3-7,10H2,1-2H3
• InChIKey: ALZXZHUXSVMNLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11154922
• PubChem SID: 164292533
• PubChem CID: 43199393

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9729536
• LogD (pH = 7.4): -1.7540253
• Log P: 0.47875544
• Molar Refractivity: 50.4268 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.906

Product Information

• Purity: 95%