(3-methyloxolan-3-yl)methanamine

• ChemBase ID: 274342
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1(COCC1)(CN)C
• Canonical SMILES: NCC1(C)COCC1
• InChI: InChI=1S/C6H13NO/c1-6(4-7)2-3-8-5-6/h2-5,7H2,1H3
• InChIKey: BIHDPCZORCLZAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-methyloxolan-3-yl)methanamine
• IUPAC Traditional name: (3-methyloxolan-3-yl)methanamine
• Synonyms: (3-methyloxolan-3-yl)methanamine

Database IDs

• MDL Number: MFCD16856414
• PubChem SID: 164330252
• PubChem CID: 54593129

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1266558
• LogD (pH = 7.4): -2.458866
• Log P: -0.11433238
• Molar Refractivity: 32.8554 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.323

Product Information

• Purity: 95%