(15N)nitric acid (15N)amine

• ChemBase ID: 136059
• Molecular Formular: H4N2O3
• Molecular Mass: 82.0301778
• Monoisotopic Mass: 82.01626178
• SMILES: [15NH3].[15N+](=O)(O)[O-]
• Canonical SMILES: [O-][15N+](=O)O.[15NH3]
• InChI: InChI=1S/HNO3.H3N/c2-1(3)4;/h(H,2,3,4);1H3/i2*1+1
• InChIKey: PRORZGWHZXZQMV-NPMJFZSBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^5N)nitric acid (^1^5N)amine
• IUPAC Traditional name: (^1^5N)nitric acid (^1^5N)amine
• Synonyms: Ammonium-15N nitrate-15N; Ammonium nitrate-15N2; 硝酸-15N 铵-15N; 硝酸铵-15N2

Database IDs

• CAS Number: 43086-60-8
• MDL Number: MFCD00082562
• PubChem SID: 162230330; 24872325; 24862662; 24872326; 24872327
• PubChem CID: 71309570

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.)
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Oxidising (O); Irritant (Xi)
• UN Number: 1942
• German water hazard class: 1; 3
• Hazard Class: 5.1
• Packing Group: 3
• Risk Statements: 7-36/37/38; 8-36/37/38
• Safety Statements: 17-26-36; 3-7-14-26-36/37/39
• 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; 2 atom % 15N; 5 atom % 15N; 60 atom % 15N; 98 atom % 15N
• Mol. Weight: mol wt 80.08 by atom % calculation; mol wt 80.14 by atom % calculation; mol wt 80.24 by atom % calculation; mol wt 81.24 by atom % calculation; mol wt 81.99 by atom % calculation
• Linear Formula: 15NH415NO3

DETAILS

Sigma Aldrich - 488054

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 - 366528

Packaging
1 g in glass bottle
250 mg 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 - 488062

Packaging
5 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 - 609439

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 - 488070

Packaging
100 g in poly 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.