2-chloro-4,6-bis(morpholin-4-yl)-1,3,5-triazine

• ChemBase ID: 51734
• Molecular Formular: C11H16ClN5O2
• Molecular Mass: 285.73004
• Monoisotopic Mass: 285.09925246
• SMILES: n1c(nc(nc1N1CCOCC1)Cl)N1CCOCC1
• Canonical SMILES: Clc1nc(nc(n1)N1CCOCC1)N1CCOCC1
• InChI: InChI=1S/C11H16ClN5O2/c12-9-13-10(16-1-5-18-6-2-16)15-11(14-9)17-3-7-19-8-4-17/h1-8H2
• InChIKey: WYCCBNGHFYBVOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4,6-bis(morpholin-4-yl)-1,3,5-triazine
• IUPAC Traditional name: 2-chloro-4,6-bis(morpholin-4-yl)-1,3,5-triazine
• Synonyms: 2-Chloro-4,6-dimorpholino-1,3,5-triazine

Database IDs

• CAS Number: 7597-22-0
• MDL Number: MFCD00432885
• PubChem SID: 162056497
• PubChem CID: 224967

CALCULATED PROPERTIES

• H Acceptors: 7
• H Donor: 0
• LogD (pH = 5.5): 1.9001188
• LogD (pH = 7.4): 1.9009309
• Log P: 1.9009413
• Molar Refractivity: 74.9184 cm^3
• Polarizability: 26.740953 Å^3
• Polar Surface Area: 63.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 166 - 168 °C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%