(4,6-di-tert-butylpyrimidin-2-yl)methanamine hydrochloride

• ChemBase ID: 815425
• Molecular Formular: C13H24ClN3
• Molecular Mass: 257.80276
• Monoisotopic Mass: 257.16587546
• SMILES: Cl.C(N)c1nc(cc(n1)C(C)(C)C)C(C)(C)C
• Canonical SMILES: NCc1nc(cc(n1)C(C)(C)C)C(C)(C)C.Cl
• InChI: InChI=1S/C13H23N3.ClH/c1-12(2,3)9-7-10(13(4,5)6)16-11(8-14)15-9;/h7H,8,14H2,1-6H3;1H
• InChIKey: ZYJVILZKBDCYRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4,6-di-tert-butylpyrimidin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: (4,6-di-tert-butylpyrimidin-2-yl)methanamine hydrochloride
• Synonyms: (4,6-di-tert-butylpyrimidin-2-yl)methanamine hydrochloride

Database IDs

• CAS Number: 1196155-77-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.41344
• LogD (pH = 7.4): 3.1056376
• Log P: 3.5977767
• Molar Refractivity: 67.2942 cm^3
• Polarizability: 26.491858 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%