2-(pyrimidin-2-yl)ethan-1-amine hydrochloride

• ChemBase ID: 180301
• Molecular Formular: C6H10ClN3
• Molecular Mass: 159.6167
• Monoisotopic Mass: 159.05632502
• SMILES: c1(ncccn1)CCN.Cl
• Canonical SMILES: NCCc1ncccn1.Cl
• InChI: InChI=1S/C6H9N3.ClH/c7-3-2-6-8-4-1-5-9-6;/h1,4-5H,2-3,7H2;1H
• InChIKey: VUGLSVSIQKZECN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(pyrimidin-2-yl)ethan-1-amine hydrochloride
• IUPAC Traditional name: 2-(pyrimidin-2-yl)ethanamine hydrochloride
• Synonyms: 2-(Aminoethyl)pyrimidine hydrochloride; 2-(Pyrimidin-2-yl)ethanamine hydrochloride

Database IDs

• CAS Number: 372118-67-7; 1198118-04-5
• PubChem SID: 164236211
• PubChem CID: 66545376

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2961679
• LogD (pH = 7.4): -2.14519
• Log P: -0.16399005
• Molar Refractivity: 35.4058 cm^3
• Polarizability: 13.668376 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%