[1-(methoxymethyl)cyclopropyl]methanamine

• ChemBase ID: 307989
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C1(CC1)(CN)COC
• Canonical SMILES: NCC1(CC1)COC
• InChI: InChI=1S/C6H13NO/c1-8-5-6(4-7)2-3-6/h2-5,7H2,1H3
• InChIKey: GLLBCNNWOPIIOD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(methoxymethyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(methoxymethyl)cyclopropyl]methanamine
• Synonyms: 1-[1-(methoxymethyl)cyclopropyl]methanamine

Database IDs

• CAS Number: 883311-83-9
• MDL Number: MFCD09971227

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.116581
• LogD (pH = 7.4): -2.4445384
• Log P: -0.104525395
• Molar Refractivity: 32.7848 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2