4-chloro-6-hydrazinylpyrimidine

• ChemBase ID: 66753
• Molecular Formular: C4H5ClN4
• Molecular Mass: 144.5623
• Monoisotopic Mass: 144.02027386
• SMILES: c1nc(cc(n1)NN)Cl
• Canonical SMILES: NNc1cc(Cl)ncn1
• InChI: InChI=1S/C4H5ClN4/c5-3-1-4(9-6)8-2-7-3/h1-2H,6H2,(H,7,8,9)
• InChIKey: NYXYZCSAJZLFEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-6-hydrazinylpyrimidine
• IUPAC Traditional name: 4-chloro-6-hydrazinylpyrimidine
• Synonyms: 4-Chloro-6-hydrazinopyrimidine

Database IDs

• CAS Number: 5767-35-1
• MDL Number: MFCD01646095
• PubChem SID: 162032489
• PubChem CID: 247222

CALCULATED PROPERTIES

• Acid pKa: 18.85542
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.79918456
• LogD (pH = 7.4): 0.8592353
• Log P: 0.8600575
• Molar Refractivity: 38.6086 cm^3
• Polarizability: 13.113123 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 151 - 153°C
• Hydrophobicity(logP): 0.885

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%