(2H4)pyridin-2-(2H2)amine

• ChemBase ID: 135704
• Molecular Formular: C5H6N2
• Molecular Mass: 94.11454
• Monoisotopic Mass: 94.0530982
• SMILES: c1ccnc(c1)N
• Canonical SMILES: Nc1ccccn1
• InChI: InChI=1S/C5H6N2/c6-5-3-1-2-4-7-5/h1-4H,(H2,6,7)
• InChIKey: ICSNLGPSRYBMBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₄)pyridin-2-(^2H₂)amine
• IUPAC Traditional name: (^2H₄)pyridin-2-(^2H₂)amine
• Synonyms: 2-Aminopyridine-d6

Database IDs

• MDL Number: MFCD00209686
• PubChem SID: 162229977
• PubChem CID: 59868644

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.60386604
• LogD (pH = 7.4): 0.42012146
• Log P: 0.521105
• Molar Refractivity: 28.915 cm^3
• Polarizability: 10.590495 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+6

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2671
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 21-25-36/37/38
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H312-H315-H319-H335
• GHS Precautionary statements: P261-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2671 6.1/PG 2

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 100.03 by atom % calculation
• Linear Formula: D2NC5D4N

DETAILS

Sigma Aldrich - 688541

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.