1-(methoxymethyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 240135
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: C1(CC1)(N)COC.Cl
• Canonical SMILES: COCC1(N)CC1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c1-7-4-5(6)2-3-5;/h2-4,6H2,1H3;1H
• InChIKey: DFMSPYOGSLHTKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(methoxymethyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 1-(methoxymethyl)cyclopropan-1-amine hydrochloride
• Synonyms: 1-(methoxymethyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD15474850
• PubChem SID: 164296045
• PubChem CID: 53407230

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2773561
• LogD (pH = 7.4): -2.3926973
• Log P: -0.2831011
• Molar Refractivity: 28.0631 cm^3
• Polarizability: 11.428371 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.188

Product Information

• Purity: 95%