N-Acetyl-L-methionin

NAM · N-Acetylmethionine · AC-MET-OH · methionin · Acetylmethionine · ACETYL-L-METHIONINE · N-ACETYL-L-METHIONINE:AC-MET-OH · n-acetyl-l-methionin

https://huagongshe.com/de/chemical/448580

Molekülstruktur von N-Acetyl-L-methionin

Identifikatoren & physikalische Daten

CAS No.	65-82-7
Summenformel	C7H13NO3S
Durchschnittliche Molmasse	191,25 g/mol
Monoisotopische Masse	191,06161445 g/mol
SMILES	CSCC[C@H](NC(C)=O)C(=O)O
InChIKey	XUYPXLNMDZIRQH-LURJTMIESA-N
PubChem CID	448580
ChEBI	CHEBI:21557
EC No.	200-617-7
DTXSID	DTXSID00883214
Lokaler Name	N-Acetyl-L-methionin

Chemische & physikalische Eigenschaften

XLogP	0,1
Polarare Oberfläche (TPSA)	91,7
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	5
Schwere Atome	12
Formalladung	0
Komplexität	172
LogP (Verteilungskoeffizient)	-0.03
Löslichkeit	307000307mg/mL at 25 °Cmethanol: soluble100mg/mL, clear, colorless
Schmelzpunkt	105.5105.5 °C103-106 °C(lit.)
Physical Description	Solid
Collision Cross Section	150.1 Å² [M+Na]+ [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]142.6 Å² [M-H]- [CCS Type: DT142.7 Å² [M-H]-150.2 Å² [M+Na]+
Siedepunkt	235 °C(Press: 12 Torr)
Dichte	1.2684 (rough estimate)
Brechungsindex	-21 ° (C=1, H2O)
Lagerbedingungen	Sealed in dry,Room Temperature
Aggregatzustand	Solid
pKa (Säurekonstante)	3.50±0.10(Predicted)
Farbe	White to Off-White
Merck	14,96
BRN	1725552
Stabilität	Stable. Incompatible with strong oxidizing agents.
Hauptanwendungen	peptide synthesis
Kosmetik-Inhaltsstoffe Funktionen	SKIN CONDITIONING
InChI	1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKey	XUYPXLNMDZIRQH-LURJTMIESA-N
SMILES	CSCC[C@H](NC(C)=O)C(O)=O
LogP (Verteilungskoeffizient)	-0.885 (est)
CAS Datenbank	65-82-7(CAS DataBase Reference)
NIST chemische Informationen	N-acetylmethionine(65-82-7)
EPA chemische Informationen	L-Methionine, N-acetyl- (65-82-7)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 57.1% (4 of 7) of all reports.DangerH315 (28.6%): Causes skin irritation [Warning Skin corrosion/irritation]H318 (14.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H319 (28.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (28.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, 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 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 4 of 7 reports by companies.There are 3 notifications provided by 3 of 7 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	Regulation (EC) No 178/2002 (amended)L-Methionine, N-acetyl-: 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.
Hazard Classes and Categories	Skin Irrit. 2 (28.6%)Eye Dam. 1 (14.3%)Eye Irrit. 2A (28.6%)STOT SE 3 (28.6%)
Toxizitätsübersicht	The panel concluded that the 115 amino acid alkyl amides listed below are safe in the present practices of use and concentration in cosmetics, when formulated to be non-irritating...Acetyl MethionineSafe for use in cosmetics, with qualifications
Wassergefährdungsklasse (WGK)	3