(2H7)propan-2-amine

• ChemBase ID: 135030
• Molecular Formular: C3H9N
• Molecular Mass: 59.11026
• Monoisotopic Mass: 59.07349929
• SMILES: CC(C)N
• Canonical SMILES: CC(N)C
• InChI: InChI=1S/C3H9N/c1-3(2)4/h3H,4H2,1-2H3
• InChIKey: JJWLVOIRVHMVIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₇)propan-2-amine
• IUPAC Traditional name: (^2H₇)propan-2-amine
• Synonyms: 2-Aminopropane-d7; Isopropyl-d7-amine; 2-氨基丙烷-d7; 异丙胺-d7

Database IDs

• CAS Number: 106658-09-7
• MDL Number: MFCD01073930
• PubChem SID: 162229305
• PubChem CID: 12203880

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.879705
• LogD (pH = 7.4): -2.5821686
• Log P: 0.14792411
• Molar Refractivity: 19.0862 cm^3
• Polarizability: 7.800994 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 33-34 °C
• Flash Point: -.4 °F; -18 °C
• Density: 0.775 g/mL at 25 °C
• Mass Shift: M+7

Safety Information

• European Hazard Symbols: Highly flammable (F+); Irritant (Xi)
• UN Number: 1221
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 1
• Risk Statements: 12-36/37/38
• Safety Statements: 16-26-29
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1221 3/PG 1

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 66.01 by atom % calculation
• Linear Formula: CD3CD(NH2)CD3

DETAILS

Sigma Aldrich - 613584

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.