2-chloro-4-hydrazinylpyrimidine

• ChemBase ID: 60598
• Molecular Formular: C4H5ClN4
• Molecular Mass: 144.5623
• Monoisotopic Mass: 144.02027386
• SMILES: c1nc(nc(c1)NN)Cl
• Canonical SMILES: NNc1ccnc(n1)Cl
• InChI: InChI=1S/C4H5ClN4/c5-4-7-2-1-3(8-4)9-6/h1-2H,6H2,(H,7,8,9)
• InChIKey: NOTCVZXATRYXPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-hydrazinylpyrimidine
• IUPAC Traditional name: 2-chloro-4-hydrazinylpyrimidine
• Synonyms: 2-Chloro-4-hydrazinopyrimidine

Database IDs

• CAS Number: 52476-87-6
• MDL Number: MFCD06658201
• PubChem SID: 162026339
• PubChem CID: 16092198

CALCULATED PROPERTIES

• Acid pKa: 19.122808
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9398718
• LogD (pH = 7.4): 0.94432884
• Log P: 0.94438595
• Molar Refractivity: 38.2411 cm^3
• Polarizability: 13.1712 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%