(anthracen-9-ylmethylidene)-$l^{5},-diazyne

• ChemBase ID: 103587
• Molecular Formular: C15H10N2
• Molecular Mass: 218.2533
• Monoisotopic Mass: 218.08439833
• SMILES: [N-]=[N+]=Cc1c2ccccc2cc2ccccc12
• Canonical SMILES: [N-]=[N+]=Cc1c2ccccc2cc2c1cccc2
• InChI: InChI=1S/C15H10N2/c16-17-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
• InChIKey: XXDVOJKRZBNPFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (anthracen-9-ylmethylidene)-$l^{5},-diazyne; 9-(diazomethyl)anthracene
• IUPAC Traditional name: (anthracen-9-ylmethylidene)-$l^{5},-diazyne; 9-(diazomethyl)anthracene
• Synonyms: 9-Anthryldiazomethane; 9-(Diazomethyl)anthracene; ADAM; ADAM; 9-Anthryldiazomethane

Database IDs

• CAS Number: 10401-59-9
• MDL Number: MFCD00063333
• PubChem SID: 162102848
• PubChem CID: 3035201

CALCULATED PROPERTIES

• Acid pKa: 9.250543
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1563432
• LogD (pH = 7.4): 2.1549635
• Log P: 2.156361
• Molar Refractivity: 68.2424 cm^3
• Polarizability: 28.786692 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 64-67°C

Safety Information

• Storage Condition: -20°C, Protect from light
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: -20°C

Product Information

• Shipped in: dry ice
• Empirical Formula (Hill Notation): C15H10N2

DETAILS

MP Biomedicals - 02152295

Highly fluorescent and ultraviolet label for spectrophotometric determination of picomole quantities of fatty acids by high-pressure liquid chromatography. Has been used to detect and quantify picomole quantities of fatty acids^1, carboxylic acids^1, prostaglandins, and urinary oxalic acid^3.

Sigma Aldrich - A7972

Application
Common fluorescent diazomethane analogue used to derivatize biomolecules. Also has been used to detect several types of acids, including amino acids, bile acids, fatty acids, prostaglandins, and steroid acids.