(E)-2-[(4-chlorophenyl)methylidene]-1,1-dimethylhydrazine

• ChemBase ID: 39991
• Molecular Formular: C9H11ClN2
• Molecular Mass: 182.65004
• Monoisotopic Mass: 182.06107604
• SMILES: N(=C\c1ccc(Cl)cc1)/N(C)C
• Canonical SMILES: CN(/N=C/c1ccc(cc1)Cl)C
• InChI: InChI=1S/C9H11ClN2/c1-12(2)11-7-8-3-5-9(10)6-4-8/h3-7H,1-2H3/b11-7+
• InChIKey: JWRGEPOIPOSDQN-YRNVUSSQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-2-[(4-chlorophenyl)methylidene]-1,1-dimethylhydrazine
• IUPAC Traditional name: (E)-2-[(4-chlorophenyl)methylidene]-1,1-dimethylhydrazine
• Synonyms: 4-Chlorobenzenecarbaldehyde N,N-dimethylhydrazone

Database IDs

• CAS Number: 22699-29-2
• MDL Number: MFCD01011933
• PubChem SID: 161003298
• PubChem CID: 9578518

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.169781
• LogD (pH = 7.4): 2.171724
• Log P: 2.1717489
• Molar Refractivity: 52.5973 cm^3
• Polarizability: 19.854883 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 67 - 68 °C; 67-68°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%