[1-(morpholin-4-yl)cyclopentyl]methanamine dihydrochloride

• ChemBase ID: 283157
• Molecular Formular: C10H22Cl2N2O
• Molecular Mass: 257.20048
• Monoisotopic Mass: 256.11091869
• SMILES: N1(C2(CN)CCCC2)CCOCC1.Cl.Cl
• Canonical SMILES: NCC1(CCCC1)N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C10H20N2O.2ClH/c11-9-10(3-1-2-4-10)12-5-7-13-8-6-12;;/h1-9,11H2;2*1H
• InChIKey: JSXOREJVSCKVAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(morpholin-4-yl)cyclopentyl]methanamine dihydrochloride
• IUPAC Traditional name: [1-(morpholin-4-yl)cyclopentyl]methanamine dihydrochloride
• Synonyms: [1-(morpholin-4-yl)cyclopentyl]methanamine dihydrochloride

Database IDs

• MDL Number: MFCD20441753
• PubChem SID: 180668688
• PubChem CID: 54595641

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.3663976
• LogD (pH = 7.4): -1.5976708
• Log P: 0.4531558
• Molar Refractivity: 53.3152 cm^3
• Polarizability: 21.43625 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 220 - 222°C
• Hydrophobicity(logP): 1.041

Product Information

• Purity: 95%