2-potassio-2,3-dihydro(2-15N)-1H-isoindole-1,3-dione

• ChemBase ID: 149266
• Molecular Formular: C8H4KNO2
• Molecular Mass: 186.2145689
• Monoisotopic Mass: 185.98494495
• SMILES: c1ccc2c(c1)C(=O)[15N](C2=O)[K]
• Canonical SMILES: [K][15N]1C(=O)c2c(C1=O)cccc2
• InChI: InChI=1S/C8H5NO2.K/c10-7-5-3-1-2-4-6(5)8(11)9-7;/h1-4H,(H,9,10,11);/q;+1/p-1/i9+1
• InChIKey: FYRHIOVKTDQVFC-DLBIPZKSSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-potassio-2,3-dihydro(2-^1^5N)-1H-isoindole-1,3-dione
• IUPAC Traditional name: 2-potassio(2-^1^5N)isoindole-1,3-dione
• Synonyms: 1,3-Dihydro-1,3-dioxoisoindole-15N; Potassium phthalimide-15N; Phthalimide-15N potassium salt; 酞酰亚胺-15N; 酞酰亚胺钾-15N; 邻苯二甲酰亚胺-15N 钾盐

Database IDs

• CAS Number: 53510-88-6
• MDL Number: MFCD00064344
• Beilstein Number: 3639404
• PubChem SID: 24887503; 162243434; 24858028
• PubChem CID: 11126984

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.7944
• LogD (pH = 7.4): -0.7944
• Log P: -0.7944
• Molar Refractivity: 38.5148 cm^3
• Polarizability: 16.41513 Å^3
• Polar Surface Area: 37.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: >300 °C(lit.)
• Mass Shift: M+1

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Grade: purum
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 136.20 by atom % calculation
• Empirical Formula (Hill Notation): C8H4K15NO2

DETAILS

Sigma Aldrich - 299243

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.