Benzocaine EP Impurity H - CAS 619-45-4
Catalog: |
BB031346 |
Product Name: |
Benzocaine EP Impurity H |
CAS: |
619-45-4 |
Synonyms: |
4-Aminobenzoic acid methyl ester; Benzoic acid, 4-amino-, methyl ester; p-(Methoxycarbonyl)aniline |
IUPAC Name: | methyl 4-aminobenzoate |
Description: | One impurity of Benzocaine. |
Molecular Weight: | 151.16 |
Molecular Formula: | C8H9NO2 |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)N |
InChI: | InChI=1S/C8H9NO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,9H2,1H3 |
InChI Key: | LZXXNPOYQCLXRS-UHFFFAOYSA-N |
Boiling Point: | 299.2 °C at 760 mmHg |
Melting Point: | 110-113 °C |
Purity: | 98 % |
Density: | 1.166 g/cm3 |
Appearance: | Off-white crystals. |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00007891 |
LogP: | 1.63660 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22954377 | 20120926 | Where's the charge? Protonation sites in gaseous ions change with hydration | Journal of the American Chemical Society |
22041064 | 20111215 | Butamben derivatives enhance BMP-2-stimulated commitment of C2C12 cells into osteoblasts with induction of voltage-gated potassium channel expression | Bioorganic & medicinal chemistry letters |
21588232 | 20100703 | Methyl 4-isonicotinamido-benzoate monohydrate | Acta crystallographica. Section E, Structure reports online |
17978529 | 20071101 | Cytotoxic metabolites from the wood-decayed fungus Xylaria sp. BCC 9653 | Chemical & pharmaceutical bulletin |
15760229 | 20050318 | Efficient preparation of nitrosoarenes for the synthesis of azobenzenes | The Journal of organic chemistry |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 151.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 151.063328530 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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