1-cyclopropyl-2-methoxyethan-1-amine

• ChemBase ID: 241882
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1(CC1)C(N)COC
• Canonical SMILES: COCC(C1CC1)N
• InChI: InChI=1S/C6H13NO/c1-8-4-6(7)5-2-3-5/h5-6H,2-4,7H2,1H3
• InChIKey: APFVIOCNPBAUSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-2-methoxyethan-1-amine
• IUPAC Traditional name: 1-cyclopropyl-2-methoxyethanamine
• Synonyms: 1-cyclopropyl-2-methoxyethan-1-amine

Database IDs

• MDL Number: MFCD15144652
• PubChem SID: 164297792
• PubChem CID: 53414987

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.841064
• LogD (pH = 7.4): -2.1231058
• Log P: 0.16790996
• Molar Refractivity: 32.5745 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.221

Product Information

• Purity: 95%