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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB100085 |
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Identification |
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| Name: |
phenazine-1-carboxylic acid |
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| Description: | An aromatic carboxylic acid that is phenazine substituted at C-1 with a carboxy group. |
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Structure |
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| Synonyms: |
- 1-Carboxyphenazine
- 1-Phenazinecarboxylic acid
- 1-Carboxylic acid phenazine
- Phenazinecarboxylic acid
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Chemical Formula: |
C13H8>N |
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| Average Molecular Weight: |
224.215 |
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| Monoisotopic Molecular
Weight: |
224.058578 |
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| InChI Key: |
JGCSKOVQDXEQHI-UHFFFAOYSA-N |
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| InChI: | InChI=1S/C13H8N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-7H,(H,16,17) |
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| CAS
number: |
2538-68-3 |
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| IUPAC Name: | Not Available |
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Traditional IUPAC Name: |
Not Available |
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| SMILES: | OC(=O)c1cccc2nc3ccccc3nc12 |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of organic compounds known as phenazines and derivatives. These are polycyclic aromatic compounds containing a phenazine moiety, which is a linear tricyclic system that consists of a two benzene rings joined by a pyrazine ring. |
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Kingdom |
Organic compounds |
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| Super Class | Organoheterocyclic compounds |
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Class |
Diazanaphthalenes |
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| Sub Class | Benzodiazines |
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Direct Parent |
Phenazines and derivatives |
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| Alternative Parents |
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| Substituents |
- Phenazine
- Pyrazine
- Benzenoid
- Heteroaromatic compound
- Carboxylic acid derivative
- Carboxylic acid
- Monocarboxylic acid or derivatives
- Azacycle
- Organic nitrogen compound
- Hydrocarbon derivative
- Organic oxide
- Organooxygen compound
- Organonitrogen compound
- Organopnictogen compound
- Organic oxygen compound
- Aromatic heteropolycyclic compound
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| Molecular Framework |
Aromatic heteropolycyclic compounds |
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| External Descriptors |
- phenazines, monocarboxylic acid, aromatic carboxylic acid (CHEBI:62412)
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Physical Properties |
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| State: |
Not Available |
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| Charge: | Not Available |
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Melting point: |
Not Available |
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| Experimental Properties: |
| Property | Value | Source |
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| Melting Point | 238-240 °C | Acemol | | Gravity | 1.431 g/mL | Acemol |
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| Predicted Properties |
| Property | Value | Source |
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| Density | 1.4±0.1 g/cm3 | ACDLabs | | Boiling Point | 494.6±10.0 °C at 760 mmHg | ACDLabs | | Vapor Pressure | 0.0±1.3 mmHg at 25°C | ACDLabs | | Enthaply of Vaporization | 80.3±3.0 kJ/mol | ACDLabs | | Flash Point | 252.9±19.0 °C | ACDLabs | | Index of Refraction | 1.769 | ACDLabs | | Molar Refractivity | 65.1±0.3 cm3 | ACDLabs | | Log P | 1.75 | ACDLabs |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
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Spectra |
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| Spectra: |
Not Available |
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References |
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| References: |
Not Available |
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| Synthesis Reference: |
Not Available |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
Not Available |
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