2-(1,3-oxazol-2-yl)propan-1-amine hydrochloride

• ChemBase ID: 799678
• Molecular Formular: C6H11ClN2O
• Molecular Mass: 162.61734
• Monoisotopic Mass: 162.05599066
• SMILES: Cl.C(C(C)c1occn1)N
• Canonical SMILES: NCC(c1ncco1)C.Cl
• InChI: InChI=1S/C6H10N2O.ClH/c1-5(4-7)6-8-2-3-9-6;/h2-3,5H,4,7H2,1H3;1H
• InChIKey: RAGYNGVJYZTHAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1,3-oxazol-2-yl)propan-1-amine hydrochloride
• IUPAC Traditional name: 2-(1,3-oxazol-2-yl)propan-1-amine hydrochloride
• Synonyms: 2-(oxazol-2-yl)propan-1-amine hydrochloride

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0752792
• LogD (pH = 7.4): -2.0112643
• Log P: -0.1059289
• Molar Refractivity: 33.8417 cm^3
• Polarizability: 13.286947 Å^3
• Polar Surface Area: 52.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%