[(1Z)-chloro(phenylimino)methyl]dimethylamine

• ChemBase ID: 251361
• Molecular Formular: C9H11ClN2
• Molecular Mass: 182.65004
• Monoisotopic Mass: 182.06107604
• SMILES: C(=N\c1ccccc1)(/N(C)C)\Cl
• Canonical SMILES: CN(/C(=N/c1ccccc1)/Cl)C
• InChI: InChI=1S/C9H11ClN2/c1-12(2)9(10)11-8-6-4-3-5-7-8/h3-7H,1-2H3/b11-9+
• InChIKey: GEMHFKXPOCTAIP-PKNBQFBNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1Z)-chloro(phenylimino)methyl]dimethylamine
• IUPAC Traditional name: [(1Z)-chloro(phenylimino)methyl]dimethylamine
• Synonyms: N,N-dimethyl-N'-phenylcarbamimidic chloride

Database IDs

• CAS Number: 7684-30-2
• MDL Number: MFCD07687099
• PubChem SID: 164307271
• PubChem CID: 7131738

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1663086
• LogD (pH = 7.4): 2.624115
• Log P: 2.6349492
• Molar Refractivity: 54.1159 cm^3
• Polarizability: 19.531183 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.507

Product Information

• Purity: 95%