N-Acetyl-DL-methionin

N-Acetyl-DL-methionine

HCID 6180CAS 1115-47-5

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Grundinformationen

Standard-SMILES: CSCCC(NC(C)=O)C(=O)O
InChIKey: XUYPXLNMDZIRQH-UHFFFAOYSA-N
Summenformel: C7H13NO3S
Durchschnittliche Molmasse: 191,25 g/mol
Monoisotopische Masse: 191,06161445

Namen und Bezeichner

Bevorzugter Name: N-Acetyl-DL-methionine
IUPAC: 2-acetamido-4-methylsulfanylbutanoic acid
Lokaler Name: N-Acetyl-DL-methionin
Englischer Name: N-Acetyl-DL-methionine
Summenformel: C7H13NO3S
Molmasse: 191.25

Namen und Synonyme

N-Acetyl-DL-methionineMETHIONINE, N-ACETYL-RefChem:8288721115-47-5Ac-DL-Met-OHAcetyl-DL-methionineDL-Methionine, N-acetyl-DL-N-AcetylmethionineMethionine, N-acetyl-, DL-N-Acetylmethionine, DL-2-acetamido-4-methylsulfanylbutanoic aciddl-Acetylmethionine

Weitere Namen anzeigen

dl-methioninN-AC-DL-METMETHIONAMINEN-Ac-DL-Met-OHN-ACETYL-DL-METAC-DL-METHIONINEN-Ac-Dl-Methioninen-acetyl-dl-methioni

N-acetyl-D,L-methionineN-ACETYL-METHIONINE2-acetamido-4-methylsulfanyl-butanoic acid2-acetamido-4-(methylsulfanyl)butanoic acid383941IGXNNSC-76332-Acetamido-4-(methylthio)butanoic acidN-Acetyl(methyl)homocysteine

Datenbank-Bezeichner

CAS: 1115-47-5、65-82-7
PubChem CID: 6180
DTXSID: DTXSID5037022
ChEMBL: CHEMBL45002
ChEBI: CHEBI:132958
UNII: 383941IGXN
EC Number: 214-224-3

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,1
Polarare Oberfläche (TPSA): 91,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 12
Formalladung: 0
Komplexität: 172

Physikochemische Eigenschaften

Schmelzpunkt: 117 · 117-119 °C(lit.)
Siedepunkt: 453.6 · 453.6±40.0 °C(Predicted)
Dichte: 1.2684 · 1.2684 (rough estimate)
Brechungsindex: 1.637 · 1.6370 (estimate)
storage temp.: 2 · 2-8°C
Löslichkeit: DMSO (Slightly), Methanol (Slightly)
Aggregatzustand: Solid
pka: 3.5 · 3.50±0.10(Predicted)
Farbe: White to Off-White
Wasserlöslichkeit: Soluble in water, ethanol, ethyl acetate.
Merck: 14 · 14,96
BRN: 1725554 · 1725554
Major Application: peptide synthesis
Kosmetik-Inhaltsstoffe Funktionen: SKIN CONDITIONING
InChI: 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: C(O)(=O)[C@H](CCSC)NC(C)=O
CAS Datenbank: 1115 · 1115-47-5(CAS DataBase Reference)
EPA chemische Informationen: Methionine, N-acetyl- (1115-47-5)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 66.7% (4 of 6) of all reports.

Danger

H318 (33.3%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 2 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 4 of 6 reports by companies.；There is 1 notification provided by 2 of 6 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.

Gefahrenhinweise

Regulatory InformationN-Acetyl-DL-Methionine: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesEye Dam. 1 (33.3%)

Regulatorische Informationen

Regulatory InformationN-Acetyl-DL-Methionine: Does not have an individual approval but may be used under an appropriate group standard

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29309070
RTECS-Nr.: PD0500000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-24/25
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationMethionine, N-acetyl-: ACTIVE

Anwendungen

BeschreibungN-acetylmethionine is a methionine derivative that is methionine in which one of the amine hydrogens is substituted by an acetyl group.It is a conjugate acid of a N-acetylmethioninate.

VerwendenN-Acetyl-DL-methionine is used as pharmaceutical intermediate, biochemical reagent.