(3S)-oxolan-3-amine hydrochloride

• ChemBase ID: 68452
• Molecular Formular: C4H10ClNO
• Molecular Mass: 123.5813
• Monoisotopic Mass: 123.04509163
• SMILES: O1C[C@H](CC1)N.Cl
• Canonical SMILES: N[C@@H]1COCC1.Cl
• InChI: InChI=1S/C4H9NO.ClH/c5-4-1-2-6-3-4;/h4H,1-3,5H2;1H/t4-;/m0./s1
• InChIKey: MHOVLDXJDIEEMJ-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-oxolan-3-amine hydrochloride
• IUPAC Traditional name: (3S)-oxolan-3-amine hydrochloride
• Synonyms: (S)-3-Aminotetrahydrofuran hydrochloride

Database IDs

• CAS Number: 204512-95-8
• MDL Number: MFCD08445642
• PubChem SID: 162034183
• PubChem CID: 18664284

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%