4-(2-hydrazinylpyrimidin-4-yl)morpholine

• ChemBase ID: 57263
• Molecular Formular: C8H13N5O
• Molecular Mass: 195.22172
• Monoisotopic Mass: 195.11201006
• SMILES: n1c(N2CCOCC2)ccnc1NN
• Canonical SMILES: NNc1nccc(n1)N1CCOCC1
• InChI: InChI=1S/C8H13N5O/c9-12-8-10-2-1-7(11-8)13-3-5-14-6-4-13/h1-2H,3-6,9H2,(H,10,11,12)
• InChIKey: CMYFMUHVJZVFMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2-hydrazinylpyrimidin-4-yl)morpholine
• IUPAC Traditional name: 4-(2-hydrazinylpyrimidin-4-yl)morpholine
• Synonyms: 4-(2-hydrazinylpyrimidin-4-yl)morpholine; 4-(2-Hydrazinopyrimidin-4-yl)morpholine

Database IDs

• MDL Number: MFCD12198097
• PubChem SID: 162062026
• PubChem CID: 46779831

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.8631459
• LogD (pH = 7.4): -0.5557836
• Log P: 0.604165
• Molar Refractivity: 56.1916 cm^3
• Polarizability: 19.608679 Å^3
• Polar Surface Area: 76.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.665939

PROPERTIES

Physical Property

• Melting Point: 146 - 148°C
• Hydrophobicity(logP): 0.32

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%