1-Phenazinecarboxylic acid

C₁₃H₈N₂O₂CAS 2538-68-3224.22 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₁₃H₈N₂O₂
Molar mass: 224.22 g/mol
Exact mass: 224.0586 Da
Melting point: 238–239 °C
logP: 2.48Crippen estimate
Polar surface area: 63.1 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2538-68-3

SMILES

O=C(O)c1cccc2nc3ccccc3nc12

InChIKey

JGCSKOVQDXEQHI-UHFFFAOYSA-N

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Phenazinecarboxylic acid
Phenazine-α-carboxylic acid
Tubermycin B
NSC 15851
Shenqinmycin

Work with 1-Phenazinecarboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Quinoxaline-5-carboxylic acid6924-66-960 % similar Phthalic acid88-99-355 % similar Acridine-9-carboxylic acid5336-90-351 % similar 8-Quinolinecarboxylic acid86-59-951 % similar 2-Chlorobenzoic acid118-91-250 % similar Bicinchoninic acid1245-13-250 % similar Diphenic acid482-05-350 % similar Ammonium phthalate523-24-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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