Cystin

(H-CYS-OH)2 · l-cystin · 3,3’-dithiobis(2-aminopropanoicacid) · (2R,2'R)-3,3'-Disulfanediylbis(2-aminopropanoic acid) · (CYS)2 · -Cystine · 1-cystine · Cystine CRS

https://huagongshe.com/de/chemical/67678

Identifikatoren & physikalische Daten

CAS No.	56-89-3
Summenformel	C6H12N2O4S2
Durchschnittliche Molmasse	240,3 g/mol
Monoisotopische Masse	240,02384886 g/mol
SMILES	N[C@@H](CSSC[C@H](N)C(=O)O)C(=O)O
InChIKey	LEVWYRKDKASIDU-IMJSIDKUSA-N
PubChem CID	67678
ChEMBL	CHEMBL590540
ChEBI	CHEBI:16283
EC No.	200-296-3
DTXSID	DTXSID2046418
Lokaler Name	Cystin

Chemische & physikalische Eigenschaften

XLogP	-6,3
Polarare Oberfläche (TPSA)	177
H-Brücken-Donoren	4
H-Brücken-Akzeptoren	8
Frei drehbare Bindungen	7
Schwere Atome	14
Formalladung	0
Komplexität	192
Stoffklassen	Biological Agents -> Amino Acids and Derivatives
Arzneimittel	Pharmaceuticals -> Listed in ZINC15
Kosmetika	Cosmetic ingredients (Cystine) -> CIR (Cosmetic Ingredient Review)AntistaticHair conditioning
LogP (Verteilungskoeffizient)	-5.08
Lebensmittelzusatzstoffe	DOUGH STRENGTHENER, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT -> FDA Substance added to food
Aromastoffe	EU Flavoring substances
Löslichkeit	0.19 mg/mL1 M HCl: 100 mg/mL0.112 g/L (25 ºC)
Schmelzpunkt	260.5 °C>240 °C (dec.) (lit.)
Physical Description	Solid[Merck Index] White powder[Sigma-Aldrich MSDS]
Dissociation Constants	1
Collision Cross Section	145 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine]148.1 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]147.3 Å² [M+Na-2H]- [CCS Type: DTMethod: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]149.4 Å² [M+H]+ [CCS Type: DTMethod: single field calibrated with Agilent tune mix (Agilent)]150.08 Å² [M+H]+ [CCS Type: DTMethod: stepped-field]151.5 Å² [M+Na]+
Siedepunkt	468.2±45.0 °C(Predicted)
Dichte	1.68
Brechungsindex	-222.5 ° (C=1, 1mol/L HCl)
Lagerbedingungen	2-8°C
Aggregatzustand	Powder/Solid
pKa (Säurekonstante)	1.0, 2.1, 8.02, 8.71(at 25℃)
Farbe	White
pH	4.60
Biologische Quelle	plant
Merck	14,2782
BRN	1728094
Stabilität	Stable. Incompatible with strong oxidizing agents.
Hauptanwendungen	peptide synthesis
Kosmetik-Inhaltsstoffe Funktionen	FRAGRANCEHAIR CONDITIONINGANTISTATIC
InChI	1S/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)/t3-,4-/m0/s1
InChIKey	LEVWYRKDKASIDU-IMJSIDKUSA-N
SMILES	N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O
LogP (Verteilungskoeffizient)	0.773 (est)
CAS Datenbank	56-89-3(CAS DataBase Reference)
NIST chemische Informationen	L-Cystine(56-89-3)
EPA chemische Informationen	L-Cystine (56-89-3)

Sicherheit & Vorschriften

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 97.8% (182 of 186) of all reports.Not ClassifiedAggregated GHS information provided per 186 reports by companies from 5 notifications to the ECHA C&L Inventory.
Regulatorische Informationen	Chemical: L-CystineCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Status: Active Update: 13-09-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5911L-cystine: Does not have an individual approval but may be used under an appropriate group standardCystine: Does not have an individual approval but may be used under an appropriate group standard
Weitere Sicherheitsinformationen	IMAP assessments - L-Cystine: Environment tier I assessment
Gefahrenübersicht	May cause irritation[Sigma-Aldrich MSDS]
Hazard Classes and Categories	Not Classified
Toxizitätsübersicht	Safe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Wassergefährdungsklasse (WGK)	3
TSCA-Inventar-Status	TSCA listed
UN-Transportnummer	2811
Zollcode	29309014
RTECS-Nr.	HA2690000
R-Sätze (R)	36/37/38-22
Gefahrensymbole	Xi,Xn
hazard_note	Irritant
Sicherheitshinweise (S)	26-36-24/25
Verpackungsgruppe	III

Anwendungen & Verwendung

Verwenden

L-Cystine is a non-essential amino acid for human development. L-Cystine is formed by the dimerization of two cysteines through the sulfur.