[(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide

• ChemBase ID: 64794
• Molecular Formular: C7H14ClF6N2P
• Molecular Mass: 306.6166402
• Monoisotopic Mass: 306.04873209
• SMILES: C(=C(\C=[N+](C)C)/Cl)/N(C)C.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CN(/C=C(/C=[N+](C)C)\Cl)C
• InChI: InChI=1S/C7H14ClN2.F6P/c1-9(2)5-7(8)6-10(3)4;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1
• InChIKey: PIUHAULDXSPPQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide
• IUPAC Traditional name: [(2Z)-2-chloro-3-(dimethylamino)prop-2-en-1-ylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide
• Synonyms: 2-Chloro-1,3-bis(dimethylamino)trimethinium hexafluorophosphate

Database IDs

• CAS Number: 291756-76-8
• MDL Number: MFCD08458255
• PubChem SID: 162030533
• PubChem CID: 10590807

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.9836764
• LogD (pH = 7.4): -2.929546
• Log P: -2.9288104
• Molar Refractivity: 57.9272 cm^3
• Polarizability: 17.370338 Å^3
• Polar Surface Area: 6.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%