cyanobis(2H3)methylamine

• ChemBase ID: 137496
• Molecular Formular: C3H6N2
• Molecular Mass: 70.09314
• Monoisotopic Mass: 70.0530982
• SMILES: CN(C#N)C
• 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: cyanobis(^2H₃)methylamine
• IUPAC Traditional name: cyanobis(^2H₃)methylamine
• Synonyms: Dimethyl-d6-cyanamide; 二甲基-d6-氰胺

Database IDs

• CAS Number: 72142-88-2
• MDL Number: MFCD00001768
• PubChem SID: 162231758; 24859375
• PubChem CID: 16212037

CALCULATED PROPERTIES

• 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
• Polarizability: 7.244591 Å^3
• Polar Surface Area: 27.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 149 °F; 65 °C
• Density: 0.941 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4076(lit.)
• Mass Shift: M+6

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 3275
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• 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
• RID/ADR: UN 3275 6.1/PG 2

Product Information

• Isotopic Purity: 99 atom % D
• Mol. Weight: mol wt 76.07 by atom % calculation
• Linear Formula: (CD3)2NCN

DETAILS

Sigma Aldrich - 328472

Packaging
1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.