5-(morpholin-4-yl)pentan-1-amine dihydrochloride

• ChemBase ID: 143669
• Molecular Formular: C9H22Cl2N2O
• Molecular Mass: 245.18978
• Monoisotopic Mass: 244.11091869
• SMILES: C1COCCN1CCCCCN.Cl.Cl
• Canonical SMILES: NCCCCCN1CCOCC1.Cl.Cl
• InChI: InChI=1S/C9H20N2O.2ClH/c10-4-2-1-3-5-11-6-8-12-9-7-11;;/h1-10H2;2*1H
• InChIKey: VFXXSMCOCWOCSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholin-4-yl)pentan-1-amine dihydrochloride
• IUPAC Traditional name: 5-(morpholin-4-yl)pentan-1-amine dihydrochloride
• Synonyms: (5-Morpholin-4-ylpentyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD13186172
• PubChem SID: 162237886
• PubChem CID: 47000694

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -5.0308256
• LogD (pH = 7.4): -2.899308
• Log P: 0.19657628
• Molar Refractivity: 51.1234 cm^3
• Polarizability: 20.324642 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Empirical Formula (Hill Notation): C9H22Cl2N2O

DETAILS

Sigma Aldrich - CBR00637

Other Notes
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