[(dimethylamino)methylidene]dimethylazanium chloride

• ChemBase ID: 146938
• Molecular Formular: C5H13ClN2
• Molecular Mass: 136.62312
• Monoisotopic Mass: 136.07672611
• SMILES: CN(C)C=[N+](C)C.[Cl-]
• Canonical SMILES: CN(C=[N+](C)C)C.[Cl-]
• InChI: InChI=1S/C5H13N2.ClH/c1-6(2)5-7(3)4;/h5H,1-4H3;1H/q+1;/p-1
• InChIKey: BPBLGCSAYMJJJW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [(dimethylamino)methylidene]dimethylazanium chloride
• IUPAC Traditional name: [(dimethylamino)methylidene]dimethylazanium chloride
• Synonyms: (Dimethylaminomethylene)dimethylammonium chloride; Bis(dimethylamino)carbenium chloride; N,N,N′,N′-Tetramethylformamidinium chloride; (二甲氨基亚甲基)二甲基氯化铵

Database IDs

• CAS Number: 1071-38-1
• MDL Number: MFCD00192067
• Beilstein Number: 3703440
• PubChem SID: 162241130; 24850092; 24864407
• PubChem CID: 9793790

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.7623637
• LogD (pH = 7.4): -3.7623637
• Log P: -3.7623637
• Molar Refractivity: 43.2322 cm^3
• Polarizability: 12.090658 Å^3
• Polar Surface Area: 6.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130-139 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0% (AT); 97%
• Grade: purum
• Linear Formula: (CH3)2NCH=N(CH3)2Cl
• Empirical Formula (Hill Notation): C5H13ClN2

DETAILS

Sigma Aldrich - 391875

Packaging
5 g in glass bottle