ethyl(oxolan-2-ylmethyl)amine hydrochloride

• ChemBase ID: 262852
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: O1C(CNCC)CCC1.Cl
• Canonical SMILES: CCNCC1CCCO1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c1-2-8-6-7-4-3-5-9-7;/h7-8H,2-6H2,1H3;1H
• InChIKey: CFSLTVLUQNMTHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl(oxolan-2-ylmethyl)amine hydrochloride
• IUPAC Traditional name: ethyl(oxolan-2-ylmethyl)amine hydrochloride
• Synonyms: ethyl(oxolan-2-ylmethyl)amine hydrochloride

Database IDs

• MDL Number: MFCD13195894
• PubChem SID: 164318762
• PubChem CID: 45792172

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.631027
• LogD (pH = 7.4): -1.8556027
• Log P: 0.5825185
• Molar Refractivity: 37.6967 cm^3
• Polarizability: 15.112169 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.73

Product Information

• Purity: 95%