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HCID 595作成日：2026年10月23日

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

https://huagongshe.com/ja/chemical/595

2-Azaniumyl-3-((2-Azaniumyl-2-Carboxylatoethyl)Disulfanyl)Propanoate の分子構造式

識別子と物理属性

CAS No.56-89-3
分子式C6H12N2O4S2
平均分子量240.3 g/mol
単同位体質量240.02384886 g/mol
SMILESNC(CSSCC(N)C(=O)O)C(=O)O
InChIKeyLEVWYRKDKASIDU-UHFFFAOYSA-N
PubChem CID595
ChEMBLCHEMBL366563
ChEBICHEBI:17376
EC No.213-094-5
DTXSIDDTXSID50859005

化学・物理的性質

XLogP-6.3
極性表面積177
水素結合供与体数4
水素結合受容体数8
回転可能結合数7
重原子数14
形式電荷0
複雑度192
物質分類Biological Agents -> Amino Acids and Derivatives
食品添加物DOUGH STRENGTHENER, FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT -> FDA Substance added to food
Physical DescriptionSolid[Merck Index] Off-white solid[Acros Organics MSDS]
Collision Cross Section150.71 Ų [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]

安全性と法規制

GHS 分類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.
有害性の概要An irritantHarmful by ingestion[Acros Organics MSDS]
Hazard Classes and CategoriesAcute Tox. 4 (20%)