1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid

octa · TRANS-1,2-CYCLOHEXANEDIAMINETETRAACETIC ACID · cgta · INBC · KSBC · chel600 · idranal iv · TRANS-CDTA

https://huagongshe.com/ko/chemical/10213

1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid 분자 구조식

식별자 및 물리적 특성

CAS No.	482-54-2
분자식	C14H22N2O8
평균 분자량	346.33 g/mol
단동위원소 질량	346.13761566 g/mol
SMILES	O=C(O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O
InChIKey	FCKYPQBAHLOOJQ-UHFFFAOYSA-N
PubChem CID	10213
ChEBI	CHEBI:188859
EC No.	207-582-7
DTXSID	DTXSID80862002

화학 및 물리적 성질

XLogP	-4.5
극성 표면적	156
수소 결합 공여자 수	4
수소 결합 수용자 수	10
회전 가능 결합 수	10
무거운 원자 수	24
형식 전하	0
복잡도	419
물질 분류	Nitrogen Compounds -> Amino Carboxylic Acids
화장품	Chelating
Physical Description	Tan solid[Acros Organics MSDS]
녹는점	215 °C
끓는 점	481.08°C (rough estimate)
밀도	1.2530 (rough estimate)
굴절률	1.5110 (estimate)
저장 조건	Sealed in dry,Room Temperature
pKa(산도 계수)	1.78±0.10(Predicted)
화장품 원료 기능	킬레이팅
InChI	InChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
InChIKey	FCKYPQBAHLOOJQ-UHFFFAOYSA-N
SMILES	C1(N(CC(O)=O)CC(O)=O)CCCCC1N(CC(O)=O)CC(O)=O
LogP(분배 계수)	0.070 (est)
EPA	Glycine, N,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)- (482-54-2)

안전 및 규제

GHS 분류	This chemical does not meet GHS hazard criteria for 96.9% (63 of 65) of all reports.Not ClassifiedAggregated GHS information provided per 65 reports by companies from 3 notifications to the ECHA C&L Inventory.
규제 정보	Chemical: Glycine, N,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)-Glycine, N,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	Causes convulsions, aggression, and chronic pulmonary edema in intraperitoneal lethal-dose studies of rats (LD50 = 413 mg/kg)[RTECS] May cause mild irritation[Acros Organics MSDS] See Edetic acid. See 1,3-Cyclohexanediamine.
Hazard Classes and Categories	Not Classified
Treatment	The antibiotics metronidazole and vancomycin have been shown to be effective against Clostridium difficile. (L1730)
건강 영향	Toxins A is an enterotoxin from Clostridium difficile and causes antibiotic-associated diarrhea and pseudomembranous colitis. (A341 , A340, L1730)
노출 경로	Ingestion (L1816)inhalation (L1816)dermal (L1816)
독성 요약	Rho GTPases are activated by glucosylation (for example RhoA at Thr37). The toxins catalyze the transfer of a glucosyl moiety from UDP-glucose to the Rho GTPases. The covalent attachment of the glucose moiety to a conserved threonine within the effector region of the GTPases renders the Rho-GTPases functionally inactive. As a consequence, the actin cytoskeleton is disaggregated and this is accompanied by cell rounding and formation of an arborized morphology. (A341, A340)
Signs and Symptoms	Symptoms of Clostridium difficile infection include bloating, constipation, and diarrhea with abdominal pain, which may become severe. Latent symptoms often mimic some flu-like symptoms. (L1730)
Carcinogen Classification	No indication of carcinogenicity to humans (not listed by IARC).
Toxicity Data	LD50: 500 ng/kg (Intraperitoneal, Mouse) (A2855)

용도

1,2-Cyclohexylenedinitrilotetraacetic Acid is used as a chelating agent in the phytoextraction of Ni from contaminated soil.