dimethylbis(prop-2-en-1-yl)azanium chloride

• ChemBase ID: 151166
• Molecular Formular: C8H16ClN
• Molecular Mass: 161.67234
• Monoisotopic Mass: 161.0971272
• SMILES: C[N+](C)(CC=C)CC=C.[Cl-]
• Canonical SMILES: C=CC[N+](CC=C)(C)C.[Cl-]
• InChI: InChI=1S/C8H16N.ClH/c1-5-7-9(3,4)8-6-2;/h5-6H,1-2,7-8H2,3-4H3;1H/q+1;/p-1
• InChIKey: GQOKIYDTHHZSCJ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethylbis(prop-2-en-1-yl)azanium chloride
• IUPAC Traditional name: dimethylbis(prop-2-en-1-yl)azanium chloride
• Synonyms: Dimethyldiallylammonium chloride; Diallyldimethylammonium chloride solution; Diallyldimethylammonium chloride; N-Allyl-N,N-dimethylprop-2-en-1-aminium chloride; 二甲基二烯丙基氯化铵; 二烯丙基二甲基氯化铵 溶液; 二烯丙基二甲基氯化铵

Database IDs

• CAS Number: 7398-69-8
• EC Number: 230-993-8
• MDL Number: MFCD00043200
• Beilstein Number: 5830817
• PubChem SID: 162245323; 24859553; 24861560; 24859550
• PubChem CID: 33286

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.5096674
• LogD (pH = 7.4): -2.5096674
• Log P: -2.5096674
• Molar Refractivity: 54.2271 cm^3
• Polarizability: 16.496933 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 140-148 °C
• Refractive Index: n20/D 1.460

Safety Information

• RTECS: UC6660000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (AT); 95+%
• Concentration: ~65% in H2O (AT); 65 wt. % in H2O
• Grade: purum
• Impurities: ~3% polymeric components
• Linear Formula: (CH2=CHCH2)2N(Cl)(CH3)2; [(CH3)2N+(CH2CH=CH2)2]Cl-

DETAILS

Sigma Aldrich - 348279

Packaging
1, 3 L in poly bottle

Sigma Aldrich - 32598

Packaging
10 g in glass bottle