pyrimidin-2-ylmethanamine hydrochloride

• ChemBase ID: 89321
• Molecular Formular: C5H8ClN3
• Molecular Mass: 145.59012
• Monoisotopic Mass: 145.04067495
• SMILES: n1c(nccc1)CN.Cl
• Canonical SMILES: NCc1ncccn1.Cl
• InChI: InChI=1S/C5H7N3.ClH/c6-4-5-7-2-1-3-8-5;/h1-3H,4,6H2;1H
• InChIKey: RZNKMZKAXJTLQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrimidin-2-ylmethanamine hydrochloride
• IUPAC Traditional name: pyrimidin-2-ylmethanamine hydrochloride
• Synonyms: Pyrimidin-2-ylmethanamine hydrochloride; (Pyrimidin-2-yl)methylamine monohydrochloride; 2-(Aminomethyl)-1,3-diazine monohydrochloride; 2-(Aminomethyl)pyrimidine monohydrochloride

Database IDs

• CAS Number: 372118-67-7
• MDL Number: MFCD08062208
• PubChem SID: 162076201
• PubChem CID: 17848325

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.5295417
• LogD (pH = 7.4): -0.83975744
• Log P: -0.3547704
• Molar Refractivity: 30.7064 cm^3
• Polarizability: 11.901853 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 95+%