4-(morpholin-4-yl)butan-2-amine dihydrochloride

• ChemBase ID: 274178
• Molecular Formular: C8H20Cl2N2O
• Molecular Mass: 231.1632
• Monoisotopic Mass: 230.09526863
• SMILES: N1(CCC(N)C)CCOCC1.Cl.Cl
• Canonical SMILES: CC(CCN1CCOCC1)N.Cl.Cl
• InChI: InChI=1S/C8H18N2O.2ClH/c1-8(9)2-3-10-4-6-11-7-5-10;;/h8H,2-7,9H2,1H3;2*1H
• InChIKey: QVEQZWXWNOSKRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(morpholin-4-yl)butan-2-amine dihydrochloride
• IUPAC Traditional name: 4-(morpholin-4-yl)butan-2-amine dihydrochloride
• Synonyms: 4-(morpholin-4-yl)butan-2-amine dihydrochloride

Database IDs

• MDL Number: MFCD18785624
• PubChem SID: 164330088
• PubChem CID: 54593056

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -4.7680926
• LogD (pH = 7.4): -3.1760273
• Log P: -0.34878004
• Molar Refractivity: 46.2966 cm^3
• Polarizability: 18.481222 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 180 - 182°C
• Hydrophobicity(logP): 0.208

Product Information

• Purity: 95%