2-(2H3)methyl(2H6)propan-2-amine

• ChemBase ID: 146980
• Molecular Formular: C4H11N
• Molecular Mass: 73.13684
• Monoisotopic Mass: 73.08914936
• SMILES: CC(C)(C)N
• Canonical SMILES: CC(N)(C)C
• InChI: InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
• InChIKey: YBRBMKDOPFTVDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(^2H₃)methyl(^2H₆)propan-2-amine
• IUPAC Traditional name: 2-(^2H₃)methyl(^2H₆)propan-2-amine
• Synonyms: 2-Amino-2-methyl-d3-propane-d6; tert-Butyl-d9-amine; 2-氨基-2-甲基-d3-丙烷-d6; 叔丁胺-d9

Database IDs

• CAS Number: 6045-08-5
• MDL Number: MFCD00084112
• PubChem SID: 24871988; 162241172
• PubChem CID: 10534656

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.6013281
• LogD (pH = 7.4): -2.3995833
• Log P: 0.42850077
• Molar Refractivity: 23.7244 cm^3
• Polarizability: 9.648022 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -67 °C(lit.)
• Boiling Point: 46 °C(lit.)
• Flash Point: -36.4 °F; -38 °C
• Density: 0.933 g/mL at 25 °C
• Refractive Index: n20/D 1.401(lit.)
• Mass Shift: M+9

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3286
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20/22-35
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302 + H332-H314
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310
• RID/ADR: UN 3286 3/PG 2

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 82.01 by atom % calculation
• Linear Formula: (CD3)3CNH2

DETAILS

Sigma Aldrich - 486353

Packaging
5 g in ampule
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.