HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 71563Erstellt: 27. Oktober 2026
D-Valin
Val · D-VAL · H-D-VAL-OH · (R)-2-AMINO-3-METHYLBUTANOIC ACID · Valnemulin hydrochloride EP Impurity D · D-VALINE · NSC 20654 · Valine, D-
https://huagongshe.com/de/chemical/71563
Identifikatoren & physikalische Daten
| CAS No. | 640-68-6 |
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| Summenformel | C5H11NO2 |
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| Durchschnittliche Molmasse | 117,15 g/mol |
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| Monoisotopische Masse | 117,07897859 g/mol |
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| SMILES | CC(C)[C@@H](N)C(=O)O |
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| InChIKey | KZSNJWFQEVHDMF-SCSAIBSYSA-N |
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| PubChem CID | 71563 |
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| ChEMBL | CHEMBL1232398 |
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| ChEBI | CHEBI:27477 |
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| EC No. | 211-368-9 |
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| DTXSID | DTXSID0046064 |
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| Lokaler Name | D-Valin |
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Chemische & physikalische Eigenschaften
| XLogP | -2,3 |
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| Polarare Oberfläche (TPSA) | 63,3 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 90,4 |
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| Stoffklassen | Biological Agents -> Amino Acids and Derivatives |
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| Physical Description | White powder[Sigma-Aldrich MSDS] |
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| Schmelzpunkt | >295 °C (subl.)(lit.) |
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| Siedepunkt | 213.6±23.0 °C(Predicted) |
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| Dichte | 1.2000 (estimate) |
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| Brechungsindex | -27 ° (C=8, 6mol/L HCl) |
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| Lagerbedingungen | room temp |
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| Löslichkeit | 56 g/L (20°C)56 g/L (20 ºC) |
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| pKa (Säurekonstante) | 2.37±0.10(Predicted) |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | White to off-white |
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| Biologische Quelle | synthetic (organic) |
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| BRN | 1721135 |
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| Kosmetik-Inhaltsstoffe Funktionen | SKIN CONDITIONINGANTISTATICHAIR CONDITIONINGFRAGRANCE |
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| InChI | 1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m1/s1 |
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| InChIKey | KZSNJWFQEVHDMF-SCSAIBSYSA-N |
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| SMILES | CC(C)[C@@H](N)C(O)=O |
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| LogP (Verteilungskoeffizient) | 0.289 (est) |
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| CAS Datenbank | 640-68-6(CAS DataBase Reference) |
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| NIST chemische Informationen | 2-Amino-3-methylbutanoic acid(D)(640-68-6) |
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| EPA chemische Informationen | D-Valine (640-68-6) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 87.5% (7 of 8) of all reports.WarningH315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: D-ValineStatus: Active Update: 17-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25830D-Valine: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - D-Valine: Environment tier I assessment |
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| Gefahrenübersicht | May cause irritation[Sigma-Aldrich MSDS] |
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| Hazard Classes and Categories | Skin Irrit. 2 (12.5%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 29224995 |
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| RTECS-Nr. | YV9360000 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 22-24/25-36-26 |
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| Lagerklasse | 11 - Combustible Solids |
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