3-methoxycyclobutan-1-amine

• ChemBase ID: 63334
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: C1(N)CC(OC)C1
• Canonical SMILES: COC1CC(C1)N
• InChI: InChI=1S/C5H11NO/c1-7-5-2-4(6)3-5/h4-5H,2-3,6H2,1H3
• InChIKey: CTZHBPUHGUPFSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxycyclobutan-1-amine
• IUPAC Traditional name: 3-methoxycyclobutan-1-amine
• Synonyms: 3-Methoxycyclobutanamine

Database IDs

• CAS Number: 1234615-98-5
• MDL Number: MFCD17015924
• PubChem SID: 162029073
• PubChem CID: 53302285

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.6258812
• LogD (pH = 7.4): -3.1362152
• Log P: -0.6045057
• Molar Refractivity: 28.0645 cm^3
• Polarizability: 11.428371 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%