2-hydrazinylpyrimidine

• ChemBase ID: 34278
• Molecular Formular: C4H6N4
• Molecular Mass: 110.11724
• Monoisotopic Mass: 110.05924621
• SMILES: c1(ncccn1)NN
• Canonical SMILES: NNc1ncccn1
• InChI: InChI=1S/C4H6N4/c5-8-4-6-2-1-3-7-4/h1-3H,5H2,(H,6,7,8)
• InChIKey: QDGHXQFTWKRQTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinylpyrimidine
• IUPAC Traditional name: 2-hydrazinylpyrimidine
• Synonyms: 2-Hydrazinopyrimidine; 2-Hydrazinopyrimidine; 2-hydrazinylpyrimidine

Database IDs

• CAS Number: 7504-94-1
• MDL Number: MFCD01249337
• PubChem SID: 160997585
• PubChem CID: 346558

CALCULATED PROPERTIES

• Acid pKa: 15.493908
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.039755072
• LogD (pH = 7.4): 0.11769946
• Log P: 0.12016409
• Molar Refractivity: 32.375 cm^3
• Polarizability: 11.116639 Å^3
• Polar Surface Area: 63.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 90 - 92°C
• Hydrophobicity(logP): 0.123

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%; 98%
• Empirical Formula (Hill Notation): C4H6N4

DETAILS

Sigma Aldrich - CBR00330

Other Notes
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Legal Information
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