1,1,1-trimethylhydrazinium iodide

• ChemBase ID: 86834
• Molecular Formular: C3H11IN2
• Molecular Mass: 202.03731
• Monoisotopic Mass: 201.99669636
• SMILES: [N+](N)(C)(C)C.[I-]
• Canonical SMILES: C[N+](N)(C)C.[I-]
• InChI: InChI=1S/C3H11N2.HI/c1-5(2,3)4;/h4H2,1-3H3;1H/q+1;/p-1
• InChIKey: HLNPDVKKRBWQAA-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-trimethylhydrazinium iodide
• IUPAC Traditional name: 1,1,1-trimethylhydrazinium iodide
• Synonyms: 1,1,1-trimethylhydrazinium iodide; 1,1,1-Trimethylhydrazinium iodide; 1,1,1-三甲基碘化肼

Database IDs

• CAS Number: 3288-80-0
• MDL Number: MFCD00464984
• PubChem SID: 24870749; 162073950
• PubChem CID: 18683

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.5076997
• LogD (pH = 7.4): -3.5076995
• Log P: -3.5076995
• Molar Refractivity: 25.8742 cm^3
• Polarizability: 9.146703 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 225-230 °C (dec.)(lit.)

Safety Information

• RTECS: MW0349100
• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 61-36/37/38
• Safety Statements: 53-36/37/39-45
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H315-H319-H335-H360
• GHS Precautionary statements: P201-P261-P305 + P351 + P338-P308 + P313
• Personal Protective Equipment: Eyeshields, Gloves, type P2 (EN 143) respirator cartridges

Product Information

• Purity: 97%
• Linear Formula: H2NN(CH3)3I

DETAILS

Sigma Aldrich - 471623

Packaging
50 g in glass bottle