[4-(9H-purin-6-yl)morpholin-2-yl]methanamine dihydrochloride

• ChemBase ID: 240266
• Molecular Formular: C10H16Cl2N6O
• Molecular Mass: 307.17964
• Monoisotopic Mass: 306.07626452
• SMILES: c12c(N3CC(OCC3)CN)ncnc1[nH]cn2.Cl.Cl
• Canonical SMILES: NCC1OCCN(C1)c1ncnc2c1nc[nH]2.Cl.Cl
• InChI: InChI=1S/C10H14N6O.2ClH/c11-3-7-4-16(1-2-17-7)10-8-9(13-5-12-8)14-6-15-10;;/h5-7H,1-4,11H2,(H,12,13,14,15);2*1H
• InChIKey: DLBMWQPDXUYSGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(9H-purin-6-yl)morpholin-2-yl]methanamine dihydrochloride
• IUPAC Traditional name: [4-(9H-purin-6-yl)morpholin-2-yl]methanamine dihydrochloride
• Synonyms: [4-(9H-purin-6-yl)morpholin-2-yl]methanamine dihydrochloride

Database IDs

• MDL Number: MFCD22392098
• PubChem SID: 164296176
• PubChem CID: 71756512

CALCULATED PROPERTIES

• Acid pKa: 9.9096155
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -3.5826342
• LogD (pH = 7.4): -2.2366347
• Log P: -0.95351815
• Molar Refractivity: 63.022 cm^3
• Polarizability: 24.05965 Å^3
• Polar Surface Area: 92.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.582

Product Information

• Purity: 95%