(4-cyclopropylmorpholin-2-yl)methanamine dihydrochloride

• ChemBase ID: 274851
• Molecular Formular: C8H18Cl2N2O
• Molecular Mass: 229.14732
• Monoisotopic Mass: 228.07961857
• SMILES: N1(C2CC2)CC(OCC1)CN.Cl.Cl
• Canonical SMILES: NCC1OCCN(C1)C1CC1.Cl.Cl
• InChI: InChI=1S/C8H16N2O.2ClH/c9-5-8-6-10(3-4-11-8)7-1-2-7;;/h7-8H,1-6,9H2;2*1H
• InChIKey: GELKCKCVADQERZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-cyclopropylmorpholin-2-yl)methanamine dihydrochloride
• IUPAC Traditional name: (4-cyclopropylmorpholin-2-yl)methanamine dihydrochloride
• Synonyms: (4-cyclopropylmorpholin-2-yl)methanamine dihydrochloride

Database IDs

• MDL Number: MFCD18838997
• PubChem SID: 164330761
• PubChem CID: 54593398

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.3867226
• LogD (pH = 7.4): -2.3715634
• Log P: -0.29998317
• Molar Refractivity: 43.8938 cm^3
• Polarizability: 17.75141 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.069

Product Information

• Purity: 95%