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Chromoionophore I

CAT: 0931-T86056-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T86056-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
125829-24-5
Target
Others
Related Pathways
Others
Bioactivity
Chromoionophore I (ETH 5294), a hydrophobic pH indicator, functions as a transmissive or fluorescent probe molecule in various hydrophobic sensor membranes. It is oil-soluble [1].
Smiles
O=C(N=C1C=C2OC=3C=C(C=CC3N=C2C4=CC=CC=C14)N(CC)CC)CCCCCCCCCCCCCCCCC
Molecular Formula
C38H53N3O2
Molecular Weight
583.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chromoionophore I
CAS Number125829-24-5
PubChem CID4403211
IUPAC NameN-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]octadecanamide
Molecular FormulaC38H53N3O2
Molecular Weight583.8
XLogP12.2
Topological Polar Surface Area54.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count19
Heavy Atom Count43
Formal Charge0
Complexity920
SMILES
CCCCCCCCCCCCCCCCCC(=O)N=C1C=C2C(=NC3=C(O2)C=C(C=C3)N(CC)CC)C4=CC=CC=C41
InChI
InChI=1S/C38H53N3O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-37(42)39-34-29-36-38(32-24-22-21-23-31(32)34)40-33-27-26-30(28-35(33)43-36)41(5-2)6-3/h21-24,26-29H,4-20,25H2,1-3H3
InChIKey
MYWBZQJIXVRCJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chromoionophore I
CAS: 125829-24-5
CID: 4403211
Formula: C38H53N3O2
MW: 583.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight583.8
XLogP312.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count19
Exact Mass583.41377794
Monoisotopic Mass583.41377794
Topological Polar Surface Area54.3 Ų
Heavy Atom Count43
Formal Charge0
Complexity920
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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