(2H3)amine; [(2H)oxy](2H)

• ChemBase ID: 147731
• Molecular Formular: NO
• Molecular Mass: 30.0061
• Monoisotopic Mass: 29.99798863
• SMILES: N.O
• Canonical SMILES: N.O
• InChI: InChI=1S/H3N.H2O/h1H3;1H2
• InChIKey: VHUUQVKOLVNVRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₃)amine; [(^2H)oxy](^2H)
• IUPAC Traditional name: (^2H₃)amine; deuterium oxide
• Synonyms: Ammonium-d4 deuteroxide solution; 重水铵-d4 溶液

Database IDs

• CAS Number: 12168-30-8
• MDL Number: MFCD00064511
• PubChem SID: 24850594; 162241915
• PubChem CID: 16211396

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.7525723
• LogD (pH = 7.4): -2.4393091
• Log P: -0.978
• Molar Refractivity: 15.5149 cm^3
• Polarizability: 2.2600515 Å^3
• Polar Surface Area: 13.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.056 g/mL at 25 °C
• Refractive Index: n20/D 1.334
• Mass Shift: M+5

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• UN Number: 2672
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 36/37/38-50
• Safety Statements: 26-61
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H335-H400
• GHS Precautionary statements: P261-P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2672 8/PG 3

Product Information

• Concentration: 25 wt. % in D2O
• Isotopic Purity: 99 atom % D
• Mol. Weight: mol wt 40.03 by atom % calculation
• Linear Formula: ND4OD/D2O soln.

DETAILS

Sigma Aldrich - 176702

Packaging
5, 50, 100 g in glass bottle