N,N'-(1,2-シクロヘキサンジイル)ビス[N-(カルボキシメチル)グリシン]

1,2-ビス[ビス(2-オキソ-2-ヒドロキシエチル)アミノ]シクロヘキサン · 1,2-シクロヘキサンジイルビスニトリロ四酢酸 · 1,2-ジアミノシクロヘキサンN,N,N',N'-四酢酸 · (シクロヘキサン-1,2-ジイルビスニトリロ)四酢酸 · シクロヘキサン-1,2-ジイルビス(ニトリロ)四酢酸 · [(シクロヘキサン-1,2-ジイル)ビスニトリロ]四酢酸 · 2,2',2'',2'''-(1,2-シクロヘキサンジイルビスニトリロ)テトラキス酢酸 · 3,3'-(シクロヘキサン-1,2-ジイル)ビス(3-アザペンタン二酸)

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

N,N'-(1,2-シクロヘキサンジイル)ビス[N-(カルボキシメチル)グリシン] の分子構造式

識別子と物理属性

CAS No.	482-54-2
分子式	C14H22N2O8
平均分子量	346.33 g/mol
単同位体質量	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
現地名	N,N'-(1,2-シクロヘキサンジイル)ビス[N-(カルボキシメチル)グリシン]

化学・物理的性質

XLogP	-4.5
極性表面積	156
水素結合供与体数	4
水素結合受容体数	10
回転可能結合数	10
重原子数	24
形式電荷	0
複雑度	419
物質分類	Nitrogen Compounds -> Amino Carboxylic Acids
化粧品	Chelating
Physical Description	Tan solid[Acros Organics MSDS]
融点	215 °C
沸点	481.08°C (rough estimate)
密度	1.2530 (rough estimate)
屈折率	1.5110 (estimate)
貯蔵条件	Sealed in dry,Room Temperature
pKa（酸解離定数）	1.78±0.10(Predicted)
化粧品成分の機能	キレート化
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（分配係数）	0.070 (est)
EPAの化学物質情報	Glycine, N,N'-1,2-cyclohexanediylbis[N-(carboxymethyl)- (482-54-2)

安全性と法規制

GHS 分類	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.
規制情報	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
有害性の概要	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)
健康影響	Toxins A is an enterotoxin from Clostridium difficile and causes antibiotic-associated diarrhea and pseudomembranous colitis. (A341 , A340, L1730)
暴露経路	Ingestion (L1816)inhalation (L1816)dermal (L1816)
毒性の概要	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)

用途

使用

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