Introduction：Basic information about CAS 19136-97-1|3-Phenyl(2,2-2H2)propanoic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Phenyl(2,2-2H2)propanoic acid |
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| CAS Number | 19136-97-1 | Molecular Weight | 152.187 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 280.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C9H8D2O2 | Melting Point | / |
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| MSDS | / | Flash Point | 170.0±13.9 °C |
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Names
| Name | hydrocinnamic-2,2-d2 acid |
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| Synonym | More Synonyms |
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3-Phenyl(2,2-2H2)propanoic acid BiologicalActivity
| Description | Hydrocinnamic acid-d2 is the deuterium labeled Hydrocinnamic acid[1]. Hydrocinnamic acid is the major rhizospheric compound with known growth regulatory activities[2]. |
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| Related Catalog | Research Areas >>Others |
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| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
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| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. Tang CS, et al. Collection and Identification of Allelopathic Compounds from the Undisturbed Root System of Bigalta Limpograss (Hemarthria altissima). Plant Physiol. 1982 Jan;69(1):155-60. |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 280.0±0.0 °C at 760 mmHg |
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| Molecular Formula | C9H8D2O2 |
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| Molecular Weight | 152.187 |
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| Flash Point | 170.0±13.9 °C |
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| Exact Mass | 152.080627 |
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| PSA | 37.30000 |
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| LogP | 1.84 |
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| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
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| Index of Refraction | 1.542 |
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| InChIKey | XMIIGOLPHOKFCH-RJSZUWSASA-N |
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| SMILES | O=C(O)CCc1ccccc1 |
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Synonyms
| Benzenepropanoic-α,α-d acid |
| 3-phenylpropionic-2,2-d2 acid |
| 3-Phenyl(2,2-H)propanoic acid |
| 2,2-dideuterio-2-hydroxy-acetic acid |
| 2,2-dideuterio-3-phenylpropanoic acid |
