bis[(1,2,3-13C3)propan-2-yl]amine

• ChemBase ID: 136433
• Molecular Formular: C6H15N
• Molecular Mass: 107.14592903
• Monoisotopic Mass: 107.14057851
• SMILES: [13CH3][13CH]([13CH3])N[13CH]([13CH3])[13CH3]
• Canonical SMILES: [13CH3][13CH](N[13CH]([13CH3])[13CH3])[13CH3]
• InChI: InChI=1S/C6H15N/c1-5(2)7-6(3)4/h5-7H,1-4H3/i1+1,2+1,3+1,4+1,5+1,6+1
• InChIKey: UAOMVDZJSHZZME-IDEBNGHGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis[(1,2,3-^1^3C₃)propan-2-yl]amine
• IUPAC Traditional name: bis(1,2,3-^1^3C₃)propan-2-ylamine
• Synonyms: DIPA-13C6; Diisopropylamine-13C6

Database IDs

• MDL Number: MFCD19704795
• PubChem SID: 162230703
• PubChem CID: 71309807

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8835524
• LogD (pH = 7.4): -1.6228405
• Log P: 1.3538874
• Molar Refractivity: 33.0282 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -61 °C(lit.)
• Boiling Point: 84 °C(lit.)
• Flash Point: 1.4 °F; -17 °C
• Density: 0.764 g/mL at 25 °C
• Mass Shift: M+6

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• German water hazard class: 2
• Risk Statements: 11-20/22-34
• Safety Statements: 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314-H332
• GHS Precautionary statements: P210-P280-P305 + P351 + P338-P310

Product Information

• Purity: 97% (CP)
• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 107.09 by atom % calculation
• Linear Formula: (13CH3)213CHNH13CH(13CH3)2

DETAILS

Sigma Aldrich - 741612

Packaging
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.