Basic information
- CAS
81686-22-8- Standard SMILES
O=C(COc1ccccc1OCC(=O)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1- InChIKey
GKRBLFCTFPAHMH-UHFFFAOYSA-N- Molecular formula
- C34H52N2O4
- Average molar mass
- 552.8 g/mol
- Monoisotopic mass
- 552.39270814
Names & identifiers
- Preferred name
- Sodium ionophore III
- IUPAC
- N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamide
- English name
- ETH 2120
- Molecular formula
- C34H52N2O4
- Molecular weight
- 552.79
Names & synonyms
Sodium ionophore III81686-22-8DTXSID40346631RefChem:380736DTXCID70297703ETH 2120ETH21202,2'-(1,2-phenylenebis(oxy))bis(N,N-dicyclohexylacetamide)ETH-2120TH-2120MFCD00077941AKOS032960928
Show more names
Sodium ionophore III（ETH 2120）ETH 2120(Sodium ionophore III)Acetamide, 2,2'-[1,2-phenylenebis(oxy)]bis[N,N-dicyclohexyl-ETH 2120, N,N,Nμ,Nμ-Tetracyclohexyl-1,2-phenylenedioxydiacetamideN,N-Dicyclohexyl-2-(2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy)aceta mide
N,N,N',N'-Tetracyclohexyl-1,2-phenylenedioxydiacetamideMS-30102HY-101109F855152,2'-[1,2-Phenylenebis(oxy)]bis(N,N-dicyclohexylacetamide)BCP28991N,N-dicyclohexyl-2-[2-[2-(dicyclohexylamino)-2-oxoethoxy]phenoxy]acetamideFT-0710187
Database identifiers
- CAS
81686-22-8- PubChem CID
- 613672
- DTXSID
DTXSID40346631- EC Number
- 692-994-3
- Nikkaji
- J910.562J
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 666
Physicochemical properties
- Boiling point
- 709.4 · 709.4±53.0 °C(Predicted)
- Density
- 1.12 · 1.12±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 10 mg/ml · Chloroform: 10 mg/ml
- form
- A crystalline solid
- pka
- -0.71 · -0.71±0.20(Predicted)
- color
- White to off-white
- InChIKey
- GKRBLFCTFPAHMH-UHFFFAOYSA-N
- SMILES
- O=C(COc1ccccc1OCC(=O)N(C2CCCCC2)C3CCCCC3)N(C4CCCCC4)C5CCCCC5
- UNSPSC Code
- 26111700 · 26111700
- NACRES
- 61 · NB.61
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335
- Precautionary statements
- 261 · P261
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P271, P304+P340, P319, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSTOT SE 3 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 37
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H335
- Hazard Classifications
- STOT SE 3
- Precautionary statements
- P261
Chemistry & industry
Applications
UsesN,N-Dicyclohexyl-2-{2-[(dicyclohexylcarbamoyl)methoxy]phenoxy}acetamide an ionophore.
Suppliers51 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
思乐拓普（南京）科技有限责任公司15156792748 · [email protected]
InvivoChem中国13549236410 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
长沙晶康新材料科技有限公司0731-85118349 18874718518 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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