2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate

식별자 및 물리적 특성

CAS No.	56-89-3
분자식	C6H12N2O4S2
평균 분자량	240.3 g/mol
단동위원소 질량	240.02384886 g/mol
SMILES	NC(CSSCC(N)C(=O)O)C(=O)O
InChIKey	LEVWYRKDKASIDU-UHFFFAOYSA-N
PubChem CID	595
ChEMBL	CHEMBL366563
ChEBI	CHEBI:17376
EC No.	213-094-5
DTXSID	DTXSID50859005

XLogP	-6.3
극성 표면적	177
수소 결합 공여자 수	4
수소 결합 수용자 수	8
회전 가능 결합 수	7
무거운 원자 수	14
형식 전하	0
복잡도	192
물질 분류	Biological Agents -> Amino Acids and Derivatives
식품 첨가물	DOUGH STRENGTHENER, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT -> FDA Substance added to food
Physical Description	Solid[Merck Index] Off-white solid[Acros Organics MSDS]
Collision Cross Section	150.71 Å² [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]

GHS 분류	This chemical does not meet GHS hazard criteria for 80% (4 of 5) of all reports.WarningH302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 요약	An irritantHarmful by ingestion[Acros Organics MSDS]
Hazard Classes and Categories	Acute Tox. 4 (20%)