(1S)-1-(oxolan-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 237063
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: O1C([C@@H](N)C)CCC1.Cl
• Canonical SMILES: C[C@@H](C1CCCO1)N.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-5(7)6-3-2-4-8-6;/h5-6H,2-4,7H2,1H3;1H/t5-,6?;/m0./s1
• InChIKey: DFASQTDHYKLZCO-GNVLWMSISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(oxolan-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: (1S)-1-(oxolan-2-yl)ethanamine hydrochloride
• Synonyms: (1S)-1-(oxolan-2-yl)ethan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD22369880
• PubChem SID: 164292973
• PubChem CID: 71755849

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7963362
• LogD (pH = 7.4): -2.0390782
• Log P: 0.20970519
• Molar Refractivity: 32.5923 cm^3
• Polarizability: 13.269628 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.224

Product Information

• Purity: 95%