(4-tert-butylpyrimidin-2-yl)methanamine hydrochloride

• ChemBase ID: 815492
• Molecular Formular: C9H16ClN3
• Molecular Mass: 201.69644
• Monoisotopic Mass: 201.10327521
• SMILES: Cl.C(N)c1nc(ccn1)C(C)(C)C
• Canonical SMILES: NCc1nccc(n1)C(C)(C)C.Cl
• InChI: InChI=1S/C9H15N3.ClH/c1-9(2,3)7-4-5-11-8(6-10)12-7;/h4-5H,6,10H2,1-3H3;1H
• InChIKey: WAXBTKYHEZFDEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1196152-32-5

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.55804884
• LogD (pH = 7.4): 1.1329503
• Log P: 1.6215031
• Molar Refractivity: 49.0003 cm^3
• Polarizability: 19.19353 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%