2-(4-cyclopropylpyrimidin-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 815521
• Molecular Formular: C9H14ClN3
• Molecular Mass: 199.68056
• Monoisotopic Mass: 199.08762514
• SMILES: Cl.C(Cc1nc(ccn1)C1CC1)N
• Canonical SMILES: NCCc1nccc(n1)C1CC1.Cl
• InChI: InChI=1S/C9H13N3.ClH/c10-5-3-9-11-6-4-8(12-9)7-1-2-7;/h4,6-7H,1-3,5,10H2;1H
• InChIKey: LCGBPNRPYBCCQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-cyclopropylpyrimidin-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(4-cyclopropylpyrimidin-2-yl)ethanamine hydrochloride
• Synonyms: 2-(4-cyclopropylpyrimidin-2-yl)ethanamine hydrochloride

Database IDs

• CAS Number: 1196151-12-8

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.381191
• LogD (pH = 7.4): -1.2343749
• Log P: 0.75193495
• Molar Refractivity: 47.3965 cm^3
• Polarizability: 18.386045 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%