(1,3,5-triazin-2-yl)methanamine

• ChemBase ID: 802368
• Molecular Formular: C4H6N4
• Molecular Mass: 110.11724
• Monoisotopic Mass: 110.05924621
• SMILES: C(N)c1ncncn1
• Canonical SMILES: NCc1ncncn1
• InChI: InChI=1S/C4H6N4/c5-1-4-7-2-6-3-8-4/h2-3H,1,5H2
• InChIKey: NHXJALZACMFVJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1,3,5-triazin-2-yl)methanamine
• IUPAC Traditional name: 1,3,5-triazin-2-ylmethanamine
• Synonyms: 1-(1,3,5-TRIAZIN-2-YL)METHANAMINE

Database IDs

• CAS Number: 189625-04-5

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.805282
• LogD (pH = 7.4): -1.1293826
• Log P: -0.68092364
• Molar Refractivity: 30.5057 cm^3
• Polarizability: 11.039717 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%