L-Leucine

(3h)leucine · Leucine (H-3) · L-LEUCINE-[4,5-3H(N)] · L-LEUCINE-[3,4,5-3H(N)] · LEUCINE, L, [4,5-3H(N)] · L-leucine-(4,5-3H(N)) mol. wt. 131.2

https://huagongshe.com/de/chemical/6106

Identifikatoren & physikalische Daten

CAS No.	21675-61-6
Summenformel	C6H13NO2
Durchschnittliche Molmasse	131,17 g/mol
Monoisotopische Masse	131,09462866 g/mol
SMILES	CC(C)C[C@H](N)C(=O)O
InChIKey	ROHFNLRQFUQHCH-YFKPBYRVSA-N
PubChem CID	6106
ChEMBL	CHEMBL291962
ChEBI	CHEBI:15603
EC No.	200-522-0
DTXSID	DTXSID9023203

Chemische & physikalische Eigenschaften

XLogP	-1,5
Polarare Oberfläche (TPSA)	63,3
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	3
Schwere Atome	9
Formalladung	0
Komplexität	101
LogP (Verteilungskoeffizient)	-1.52log Kow = -1.52
Dichte	1.293 g/cu cm at 18 °C
Color/Form	White glistening hexagonal plates from aqueous alcoholWhite crystals
Löslichkeit	21500Leaflets from water. Sweet taste. Decomposes at 232 °C (also reported as 290 °C). Sublimes. pK1 = 2.36pK2 = 9.60. Solubility in water (g/L): 7.97 (0 °C)9.91 (25 °C)14.06 (50 °C)22.76 (75 °C)42.06 (100 °C)in 90% alcohol: 1.3. Insoluble in ether. /Leucine DL-form/Solubility in 99% alcohol: 0.72in acetic acid: 10.9. Insoluble in ether.Solubility in water (g/L): 22.7 (0 °C)24.26 (25 °C)28.87 (50 °C)38.23 (75 °C)56.38 (100 °C)In water, 2.15X10+4 mg/L at 25 °C21.5 mg/mL
Siedepunkt	Sublimes at 145-148 °C. Decomposes at 293-295 °C (rapid heating, sealed tube)
Decomposition	When heated to decomposition it emits toxic fumes of /nitric oxide/.
Schmelzpunkt	293293 °C268 - 288 °C
Dampfdruck	0.00000001 [mmHg]
Optical Rotation	Specific optical rotation: -10.8 at 25 °C/D (c = 2.2)+15.1 deg at 26 °C/D in 6N HCl (38 mols HCl per mol leucine)+7.6 deg at 20 °C/D in 3N NaOH (30 mols NaOH per mol leucine). Molecular rotation: +21.0 deg at /D (5NHCl)+29.5 deg /D (glacial acetic acid)
Physical Description	Dry PowderWhite solid[Merck Index] White powder[Sigma-Aldrich MSDS]Small white lustrous plates or crystalline powderodourless
Ionization Efficiency	Positive3.152.7Agilent XCTElectrospray ionizationformic acid (5.3nM)
Dissociation Constants	2.389.612.35 (at 13 °C)pKa = 2.35
Lagerbedingungen	2-8°C

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 100% (208 of 208) of all reports.Not ClassifiedReported as not meeting GHS hazard criteria by 208 of 208 companies. For more detailed information, please visit ECHA C&L website.Aggregated GHS information provided per 208 reports by companies from 2 notifications to the ECHA C&L Inventory.Reported as not meeting GHS hazard criteria per 208 of 208 reports by companies.There are 0 notifications provided by 0 of 208 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatorische Informationen	Chemical: L-LeucineRegulation (EC) No 1831/2003 (amended)L-Leucine is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of L-Leucine are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 07-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11897Leucine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.L-Leucine: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	IMAP assessments - L-Leucine: Environment tier I assessmentEvaluation - Chemicals that are unlikely to require further regulation to manage risks to human health
Gefahrenübersicht	Teratogenicity and fetal loss observed in high dose animal studiesA more recent oral study of rats showed no adverse effects at 1,000 mg/kg during gestationNo human data available[REPROTOX] Safe when used as a flavoring agent in food[JECFA] May cause irritationShown to have tumor promoting activity for bladder carcinomas