4-amino-5-(morpholin-4-yl)pentanoic acid dihydrochloride

• ChemBase ID: 244267
• Molecular Formular: C9H20Cl2N2O3
• Molecular Mass: 275.1727
• Monoisotopic Mass: 274.08509787
• SMILES: N1(CC(N)CCC(=O)O)CCOCC1.Cl.Cl
• Canonical SMILES: NC(CN1CCOCC1)CCC(=O)O.Cl.Cl
• InChI: InChI=1S/C9H18N2O3.2ClH/c10-8(1-2-9(12)13)7-11-3-5-14-6-4-11;;/h8H,1-7,10H2,(H,12,13);2*1H
• InChIKey: KKUZJVWZLHJPDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-5-(morpholin-4-yl)pentanoic acid dihydrochloride
• IUPAC Traditional name: 4-amino-5-(morpholin-4-yl)pentanoic acid dihydrochloride
• Synonyms: 4-amino-5-(morpholin-4-yl)pentanoic acid dihydrochloride

Database IDs

• MDL Number: MFCD22628491
• PubChem SID: 164300177
• PubChem CID: 71757465

CALCULATED PROPERTIES

• Acid pKa: 4.107038
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.1951976
• LogD (pH = 7.4): -3.0299191
• Log P: -3.0323193
• Molar Refractivity: 52.2216 cm^3
• Polarizability: 20.87221 Å^3
• Polar Surface Area: 75.79 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 119 - 121°C
• Hydrophobicity(logP): -2.658

Product Information

• Purity: 95%