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BAPTA

CAT: 0607-B7187-200Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0607-B7187-200Size:200 mg
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Description
calcium chelator
CAS Number
85233-19-8
Product Name Alternative
2,2',2'',2'''-(((ethane-1,2-diylbis(oxy))bis(2,1-phenylene))bis(azanetriyl))tetraacetic acid
Field of Research
Others Reagents
Purity
0.9961
Form
A crystalline solid
Solubility
Soluble to 50 mM in sodium bicarbonate (0.3N)
Smiles
OC(CN(CC(O)=O)C1=CC=CC=C1OCCOC2=CC=CC=C2N(CC(O)=O)CC(O)=O)=O
Molecular Formula
C22H24N2O10
Molecular Weight
476.23
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Bapta

BAPTA is a polyamino carboxylic acid in which bis(carboxymethyl)nitrilo groups are bonded to C-2 and C-2' of 1,1'-[ethane-1,2-diylbis(oxy)]dibenzene. It has a role as a chelator. It is a tetracarboxylic acid and a polyamino carboxylic acid.

CAS Number85233-19-8
PubChem CID104751
IUPAC Name2-[2-[2-[2-[bis(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid
Molecular FormulaC22H24N2O10
Molecular Weight476.4
XLogP2.2
Topological Polar Surface Area174
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Heavy Atom Count34
Formal Charge0
Complexity613
SMILES
C1=CC=C(C(=C1)N(CC(=O)O)CC(=O)O)OCCOC2=CC=CC=C2N(CC(=O)O)CC(=O)O
InChI
InChI=1S/C22H24N2O10/c25-19(26)11-23(12-20(27)28)15-5-1-3-7-17(15)33-9-10-34-18-8-4-2-6-16(18)24(13-21(29)30)14-22(31)32/h1-8H,9-14H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)
InChIKey
FTEDXVNDVHYDQW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bapta
CAS: 85233-19-8
CID: 104751
Formula: C22H24N2O10
MW: 476.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight476.4
XLogP32.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Exact Mass476.14309497
Monoisotopic Mass476.14309497
Topological Polar Surface Area174 Ų
Heavy Atom Count34
Formal Charge0
Complexity613
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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