2-(2-tert-butylpyrimidin-5-yl)ethan-1-amine hydrochloride

• ChemBase ID: 815514
• Molecular Formular: C10H18ClN3
• Molecular Mass: 215.72302
• Monoisotopic Mass: 215.11892527
• SMILES: Cl.C(Cc1cnc(nc1)C(C)(C)C)N
• Canonical SMILES: NCCc1cnc(nc1)C(C)(C)C.Cl
• InChI: InChI=1S/C10H17N3.ClH/c1-10(2,3)9-12-6-8(4-5-11)7-13-9;/h6-7H,4-5,11H2,1-3H3;1H
• InChIKey: QJVUPMSAANWEJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-tert-butylpyrimidin-5-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(2-tert-butylpyrimidin-5-yl)ethanamine hydrochloride
• Synonyms: 2-(2-tert-butylpyrimidin-5-yl)ethanamine hydrochloride

Database IDs

• CAS Number: 1196155-56-2

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4279661
• LogD (pH = 7.4): -0.4650729
• Log P: 1.7366921
• Molar Refractivity: 54.2775 cm^3
• Polarizability: 20.962713 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%