1-cyclopropyl-2-(methylamino)ethan-1-ol

• ChemBase ID: 235608
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1(CC1)C(O)CNC
• Canonical SMILES: CNCC(C1CC1)O
• InChI: InChI=1S/C6H13NO/c1-7-4-6(8)5-2-3-5/h5-8H,2-4H2,1H3
• InChIKey: YCRCLAWGWVSYLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropyl-2-(methylamino)ethan-1-ol
• IUPAC Traditional name: 1-cyclopropyl-2-(methylamino)ethanol
• Synonyms: 1-cyclopropyl-2-(methylamino)ethan-1-ol

Database IDs

• MDL Number: MFCD17218443
• PubChem SID: 164291518
• PubChem CID: 60150248

CALCULATED PROPERTIES

• Acid pKa: 14.589722
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2573147
• LogD (pH = 7.4): -2.4960086
• Log P: -0.04263614
• Molar Refractivity: 32.5979 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.238

Product Information

• Purity: 95%