[(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]dimethylazanium

• ChemBase ID: 801307
• Molecular Formular: C7H14ClN2+
• Molecular Mass: 161.65246
• Monoisotopic Mass: 161.08455114
• SMILES: C[N+](=C/C(=C/N(C)C)/Cl)C
• Canonical SMILES: CN(/C=C(/C=[N+](C)C)\Cl)C
• InChI: InChI=1S/C7H14ClN2/c1-9(2)5-7(8)6-10(3)4/h5-6H,1-4H3/q+1
• InChIKey: ZCWYTDUBAJRUHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]dimethylazanium
• IUPAC Traditional name: [(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]dimethylazanium
• Synonyms: N-[(2Z)-2-CHLORO-3-(DIMETHYLAMINO)PROP-2-ENYLIDENE]-N-METHYLMETHANAMINIUM

CALCULATED PROPERTIES

• Polarizability: 17.370338 Å^3
• Polar Surface Area: 6.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.9288104
• LogD (pH = 7.4): -2.9288104
• Log P: -2.9288104
• Molar Refractivity: 57.9272 cm^3

PROPERTIES

Product Information

• Purity: 98%