Tetraethyl 2,2',2'',2'''-(ethane-1,2-diylbis(oxy-2,1-phenylenenitrilo))tetraacetate
Basic information
- CAS
73630-07-6- Standard SMILES
CCOC(=O)CN(CC(=O)OCC)c1ccccc1OCCOc1ccccc1N(CC(=O)OCC)CC(=O)OCC- InChIKey
OLXCPQDFHUCXBA-UHFFFAOYSA-N- Molecular formula
- C30H40N2O10
- Average molar mass
- 588.6 g/mol
- Monoisotopic mass
- 588.26829548
Names & identifiers
- Preferred name
- Tetraethyl 2,2',2'',2'''-(ethane-1,2-diylbis(oxy-2,1-phenylenenitrilo))tetraacetate
- IUPAC
- ethyl 2-[2-[2-[2-[bis(2-ethoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-ethoxy-2-oxoethyl)anilino]acetate
- English name
- BAPTA tetraethyl ester
- Molecular formula
- C30H40N2O10
- Molecular weight
- 588.65
Names & synonyms
73630-07-6DTXSID40321049Tetraethyl 2,2',2'',2'''-[ethane-1,2-diylbis(oxy-2,1-phenylenenitrilo)]tetraacetateTetraethyl 2,2',2'',2'''-(ethane-1,2-diylbis(oxy-2,1-phenylenenitrilo))tetraacetateRefChem:1099659DTXCID10272170BAPTA tetraethyl esterTetraethyl 2,2',2'',2'''-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(azanetriyl))tetraacetateMFCD00532663ethyl 2-[2-[2-[2-[bis(2-ethoxy-2-oxoethyl)amino]phenoxy]ethoxy]-N-(2-ethoxy-2-oxoethyl)anilino]acetateSR-01000397076-1ethyl 2-{[2-(2-{2-[bis(2-ethoxy-2-oxoethyl)amino]phenoxy}ethoxy)phenyl](2-ethoxy-2-oxoethyl)amino}acetate
Show more names
CS-964NSC 368732BAPTA TETRAETHYL ESTER, 98+%1,2-bis(2-aminophenoxy)ethane-n,n,n',n'-tetraacetic acid tetraethyl esterN,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(2-ethoxy-2-oxoethyl)glycine diethyl esterGlycine, N,N'-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(2-ethoxy-2-oxoethyl)-, 1,1'-diethyl esterNSC 368732 N,N'-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(2-ethoxy-2-oxoethyl)glycine diethyl ester
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 23
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 720
Physicochemical properties
- Melting point
- 98 · 98-100°C
- storage temp.
- Sealed in dry,Room Temperature
- InChIKey
- OLXCPQDFHUCXBA-UHFFFAOYSA-N
- SMILES
- C(OC1=CC=CC=C1N(CC(OCC)=O)CC(OCC)=O)COC1=CC=CC=C1N(CC(OCC)=O)CC(OCC)=O
- CAS DataBase Reference
- 73630 · 73630-07-6
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 22 · 22-36/37/39
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-36/37/39
- Hazard statements
- H302
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Applications
UsesBapta tetraethyl ester is a kind of biochemical reagent.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…