3-hydroxy-N'-[(2-hydroxyphenyl)methylidene]naphthalene-2-carbohydrazide

• ChemBase ID: 157157
• Molecular Formular: C18H14N2O3
• Molecular Mass: 306.31536
• Monoisotopic Mass: 306.10044232
• SMILES: c1ccc2cc(c(cc2c1)C(=O)N/N=C/c1ccccc1O)O
• Canonical SMILES: O=C(c1cc2ccccc2cc1O)N/N=C/c1ccccc1O
• InChI: InChI=1S/C18H14N2O3/c21-16-8-4-3-7-14(16)11-19-20-18(23)15-9-12-5-1-2-6-13(12)10-17(15)22/h1-11,21-22H,(H,20,23)
• InChIKey: XTQAGBABCDSRSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-hydroxy-N'-[(2-hydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
• IUPAC Traditional name: 3-hydroxy-N'-[(2-hydroxyphenyl)methylidene]naphthalene-2-carbohydrazide
• Synonyms: 3-Hydroxy-2-naphthoic(2-hydroxybenzylidene)hydrazide; 3-Hydroxy-N′-[(2-hydroxyphenyl)methylene]-2-naphthydrazide; Ytterbium(III) Ionophore II; 3-羟基-(2-羟基亚苄基)萘甲酰肼; 3-羟基-N′-[(2-羟基苯基)亚甲基]-2-萘甲酰肼; 镱(III) 离子载体 II

Database IDs

• CAS Number: 80648-84-6
• MDL Number: MFCD00744944
• PubChem SID: 162251294
• PubChem CID: 6510755

CALCULATED PROPERTIES

• Acid pKa: 7.7574434
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 3.9930832
• LogD (pH = 7.4): 3.8337386
• Log P: 3.9954808
• Molar Refractivity: 88.6475 cm^3
• Polarizability: 34.027645 Å^3
• Polar Surface Area: 81.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

Product Information

• Grade: Selectophore™
• Quality: function tested

DETAILS

Sigma Aldrich - 08776

Application
Nano-level monitoring of ytterbium(III)1
General description
Visit our Sensor Applications portal to learn more.
Legal Information
Selectophore is a trademark of Sigma-Aldrich GmbH