1-(morpholin-4-ylmethyl)cyclopropan-1-amine dihydrochloride

• ChemBase ID: 71991
• Molecular Formular: C8H18Cl2N2O
• Molecular Mass: 229.14732
• Monoisotopic Mass: 228.07961857
• SMILES: C1C(C1)(N)CN1CCOCC1.Cl.Cl
• Canonical SMILES: NC1(CC1)CN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C8H16N2O.2ClH/c9-8(1-2-8)7-10-3-5-11-6-4-10;;/h1-7,9H2;2*1H
• InChIKey: DWXMMFJOEFFHLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-ylmethyl)cyclopropan-1-amine dihydrochloride
• IUPAC Traditional name: 1-(morpholin-4-ylmethyl)cyclopropan-1-amine dihydrochloride
• Synonyms: [1-(Morpholin-4-ylmethyl)cyclopropyl]-amine dihydrochloride

Database IDs

• PubChem SID: 162104029
• PubChem CID: 71299958

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8037753
• LogD (pH = 7.4): -2.480689
• Log P: -0.43598154
• Molar Refractivity: 44.1132 cm^3
• Polarizability: 17.75141 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT