5-(hydrazinylmethyl)pyrimidine

• ChemBase ID: 63265
• Molecular Formular: C5H8N4
• Molecular Mass: 124.14382
• Monoisotopic Mass: 124.07489628
• SMILES: c1ncc(cn1)CNN
• Canonical SMILES: NNCc1cncnc1
• InChI: InChI=1S/C5H8N4/c6-9-3-5-1-7-4-8-2-5/h1-2,4,9H,3,6H2
• InChIKey: FWSYLVSAXYNDJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(hydrazinylmethyl)pyrimidine
• IUPAC Traditional name: 5-(hydrazinylmethyl)pyrimidine
• Synonyms: 5-(Hydrazinomethyl)pyrimidine

Database IDs

• CAS Number: 1234616-20-6
• MDL Number: MFCD17015884
• PubChem SID: 162029004
• PubChem CID: 55281233

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.1352403
• LogD (pH = 7.4): -1.0109899
• Log P: -1.0091516
• Molar Refractivity: 46.1726 cm^3
• Polarizability: 13.230064 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%