cyanodimethylamine

• ChemBase ID: 76223
• Molecular Formular: C3H6N2
• Molecular Mass: 70.09314
• Monoisotopic Mass: 70.0530982
• SMILES: N(C)(C)C#N
• Canonical SMILES: CN(C#N)C
• InChI: InChI=1S/C3H6N2/c1-5(2)3-4/h1-2H3
• InChIKey: OAGOUCJGXNLJNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyanodimethylamine
• IUPAC Traditional name: dimethyl cyanamide
• Synonyms: Dimethylcyanamide; cyanodimethylamine; Dimethylcyanamide; 二甲基氰胺

Database IDs

• CAS Number: 1467-79-4
• EC Number: 215-991-7
• MDL Number: MFCD00001767
• Beilstein Number: 506093
• PubChem SID: 162041131
• PubChem CID: 15112

CALCULATED PROPERTIES

• Polarizability: 7.244591 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.17068596
• LogD (pH = 7.4): 0.17068596
• Log P: 0.17068596
• Molar Refractivity: 20.947 cm^3

PROPERTIES

Physical Property

• Melting Point: -41°C
• Boiling Point: 161-163 °C(lit.); 161-163°C
• Flash Point: 149 °F; 58°C; 65 °C
• Density: 0.867; 0.867 g/mL at 25 °C(lit.)
• Refractive Index: 1.41; n20/D 1.41(lit.)
• Hydrophobicity(logP): -0.148

Safety Information

• Storage Warning: Toxic/Flammable/Moisture Sensitive/Store under Argon
• RTECS: GS6475000
• European Hazard Symbols: Toxic (T)
• UN Number: 2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 23/25
• Safety Statements: 36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301 + H331
• GHS Precautionary statements: P261-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: 95%; 99%
• Linear Formula: (CH3)2NCN

DETAILS

MP Biomedicals - 05215050

MP Biomedicals Rare Chemical collection