[4-(2-methylpropyl)morpholin-2-yl]methanamine

• ChemBase ID: 249231
• Molecular Formular: C9H20N2O
• Molecular Mass: 172.2679
• Monoisotopic Mass: 172.15756327
• SMILES: N1(CC(OCC1)CN)CC(C)C
• Canonical SMILES: NCC1OCCN(C1)CC(C)C
• InChI: InChI=1S/C9H20N2O/c1-8(2)6-11-3-4-12-9(5-10)7-11/h8-9H,3-7,10H2,1-2H3
• InChIKey: JZLWZSHYJMTUMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(2-methylpropyl)morpholin-2-yl]methanamine
• IUPAC Traditional name: [4-(2-methylpropyl)morpholin-2-yl]methanamine
• Synonyms: (4-isobutylmorpholin-2-yl)methylamine

Database IDs

• MDL Number: MFCD06655635
• PubChem SID: 164305141
• PubChem CID: 4962206

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3096123
• LogD (pH = 7.4): -1.8107734
• 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

• Melting Point: 232 - 233°C
• Hydrophobicity(logP): 1.013

Product Information

• Purity: 95%