(Z)-N-phenylmorpholine-4-carbonimidoyl chloride

• ChemBase ID: 252207
• Molecular Formular: C11H13ClN2O
• Molecular Mass: 224.68672
• Monoisotopic Mass: 224.07164073
• SMILES: C(=N\c1ccccc1)(/N1CCOCC1)\Cl
• Canonical SMILES: Cl/C(=N\c1ccccc1)/N1CCOCC1
• InChI: InChI=1S/C11H13ClN2O/c12-11(14-6-8-15-9-7-14)13-10-4-2-1-3-5-10/h1-5H,6-9H2/b13-11+
• InChIKey: GCZSWGICQLWNQX-ACCUITESSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (Z)-N-phenylmorpholine-4-carbonimidoyl chloride
• IUPAC Traditional name: (Z)-N-phenylmorpholine-4-carbonimidoyl chloride
• Synonyms: N-phenylmorpholine-4-carboximidoyl chloride

Database IDs

• CAS Number: 30543-38-5
• MDL Number: MFCD08245255
• PubChem SID: 164308117
• PubChem CID: 9361718

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.184306
• LogD (pH = 7.4): 2.412557
• Log P: 2.4164486
• Molar Refractivity: 63.1904 cm^3
• Polarizability: 23.192293 Å^3
• Polar Surface Area: 24.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.102

Product Information

• Purity: 95%