(15N)nitric acid amine

• ChemBase ID: 137436
• Molecular Formular: H4N2O3
• Molecular Mass: 81.0367689
• Monoisotopic Mass: 81.01922689
• SMILES: N.[15N+](=O)(O)[O-]
• Canonical SMILES: [O-][15N+](=O)O.N
• InChI: InChI=1S/HNO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3/i1+1
• InChIKey: PRORZGWHZXZQMV-YTBWXGASSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^5N)nitric acid amine
• IUPAC Traditional name: (^1^5N)nitric acid amine
• Synonyms: 15N ammonium salt; 15N labeled ammonium nitrate; Ammonium nitrate-15N; 硝酸铵-15N

Database IDs

• CAS Number: 31432-46-9
• MDL Number: MFCD00070227
• PubChem SID: 24862664; 24872320; 162231698
• PubChem CID: 53393587

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.3479722
• LogD (pH = 7.4): -2.3479848
• Log P: 0.028413763
• Molar Refractivity: 10.473 cm^3
• Polarizability: 3.677472 Å^3
• Polar Surface Area: 66.05 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 °C(lit.)
• Boiling Point: 210 °C(lit.)

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1942
• German water hazard class: 3
• Hazard Class: 5.1
• Packing Group: 3
• Risk Statements: 8-36/37/38
• Safety Statements: 17-26-36
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H272-H315-H319-H335
• GHS Precautionary statements: P220-P261-P305 + P351 + P338
• RID/ADR: UN 1942 5.1/PG 3

Product Information

• Isotopic Purity: 10 atom % 15N; 5 atom % 15N; 60 atom % 15N; 98 atom % 15N
• Mol. Weight: mol wt 80.09 by atom % calculation; mol wt 80.14 by atom % calculation; mol wt 80.64 by atom % calculation; mol wt 81.02 by atom % calculation
• Linear Formula: NH415NO3

DETAILS

Sigma Aldrich - 366536

Packaging
1 g in glass bottle
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.

Sigma Aldrich - 487996

Packaging
50 g in glass bottle
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.

Sigma Aldrich - 485381

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.

Sigma Aldrich - 487988

Packaging
100 g in glass bottle
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.