2-amino-N-[2-(morpholin-4-yl)ethyl]acetamide dihydrochloride

• ChemBase ID: 262850
• Molecular Formular: C8H19Cl2N3O2
• Molecular Mass: 260.16136
• Monoisotopic Mass: 259.08543222
• SMILES: N1(CCNC(=O)CN)CCOCC1.Cl.Cl
• Canonical SMILES: NCC(=O)NCCN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C8H17N3O2.2ClH/c9-7-8(12)10-1-2-11-3-5-13-6-4-11;;/h1-7,9H2,(H,10,12);2*1H
• InChIKey: JXPYAPQRXPCUIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-[2-(morpholin-4-yl)ethyl]acetamide dihydrochloride
• IUPAC Traditional name: 2-amino-N-[2-(morpholin-4-yl)ethyl]acetamide dihydrochloride
• Synonyms: 2-amino-N-[2-(morpholin-4-yl)ethyl]acetamide dihydrochloride

Database IDs

• MDL Number: MFCD13195892
• PubChem SID: 164318760
• PubChem CID: 45792170

CALCULATED PROPERTIES

• Acid pKa: 15.700085
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -5.186982
• LogD (pH = 7.4): -2.765981
• Log P: -1.930598
• Molar Refractivity: 49.8159 cm^3
• Polarizability: 19.712015 Å^3
• Polar Surface Area: 67.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.003

Product Information

• Purity: 95%