(1S)-1-cyclopropyl-2-methoxyethan-1-amine

• ChemBase ID: 798937
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: [C@H](N)(C1CC1)COC
• Canonical SMILES: COC[C@H](C1CC1)N
• InChI: InChI=1S/C6H13NO/c1-8-4-6(7)5-2-3-5/h5-6H,2-4,7H2,1H3/t6-/m1/s1
• InChIKey: APFVIOCNPBAUSZ-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-cyclopropyl-2-methoxyethan-1-amine
• IUPAC Traditional name: (1S)-1-cyclopropyl-2-methoxyethanamine
• Synonyms: a-(S)-(Methoxymethyl)-cyclopropanemethanamine

Database IDs

• CAS Number: 1173690-15-7

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

Product Information

• Purity: 98%