oxolan-3-amine hydrochloride

• ChemBase ID: 287513
• Molecular Formular: C4H10ClNO
• Molecular Mass: 123.5813
• Monoisotopic Mass: 123.04509163
• SMILES: NC1COCC1.Cl
• Canonical SMILES: NC1COCC1.Cl
• InChI: InChI=1S/C4H9NO.ClH/c5-4-1-2-6-3-4;/h4H,1-3,5H2;1H
• InChIKey: MHOVLDXJDIEEMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxolan-3-amine hydrochloride
• IUPAC Traditional name: oxolan-3-amine hydrochloride
• Synonyms: Tetrahydrofuran-3-amine hydrochloride; TETRAHYDROFURAN-3-YLAMINE HYDROCHLORIDE

Database IDs

• CAS Number: 204512-94-7
• MDL Number: MFCD06738925
• PubChem SID: 180673044
• PubChem CID: 22239904

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.7259088
• LogD (pH = 7.4): -2.9165251
• Log P: -0.7242325
• Molar Refractivity: 23.5289 cm^3
• Polarizability: 9.589044 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%