[1-(ethoxymethyl)cyclopropyl]methanamine hydrochloride

• ChemBase ID: 55116
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: C1C(C1)(COCC)CN.Cl
• Canonical SMILES: CCOCC1(CN)CC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-2-9-6-7(5-8)3-4-7;/h2-6,8H2,1H3;1H
• InChIKey: MXNCTFVHFJINEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(ethoxymethyl)cyclopropyl]methanamine hydrochloride
• IUPAC Traditional name: [1-(ethoxymethyl)cyclopropyl]methanamine hydrochloride
• Synonyms: {[1-(Ethoxymethyl)cyclopropyl]methyl}amine hydrochloride

Database IDs

• MDL Number: MFCD18205895
• PubChem SID: 162059879
• PubChem CID: 53433556

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7597725
• LogD (pH = 7.4): -2.0877244
• Log P: 0.25228256
• Molar Refractivity: 37.5334 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false