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3,3'-Dipropyloxacarbocyanine iodide

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Name

3,3'-Dipropyloxacarbocyanine iodide

EINECS N/A
CAS No. 53213-79-9 Density N/A
PSA 35.09000 LogP 1.86700
Solubility DMSO: soluble Melting Point 283 °C (dec.)(lit.)
Formula C23H25N2O2.I Boiling Point N/A
Molecular Weight 488.3613 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 53213-79-9 (3,3'-DIPROPYLOXACARBOCYANINE IODIDE) Hazard Symbols IrritantXi
Synonyms

Benzoxazolium,3-propyl-2-[3-(3-propyl-2(3H)-benzoxazolylidene)-1-propenyl]-, iodide (9CI);FD5330;

 

3,3'-Dipropyloxacarbocyanine iodide Specification

The CAS register number of 3,3'-Dipropyloxacarbocyanine iodide is 53213-79-9. It also can be called as 3-Propyl-2-[3-[3-propyl-2(3H)-benzoxazolylidene]-1-propenyl]benzoxazolium iodide and the systematic name about this chemical is 3-propyl-2-[(1E,3E)-3-(3-propyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide. The molecular formula about this chemical is C23H25N2O2.I and the molecular weight is 488.36.

Physical properties about 3,3'-Dipropyloxacarbocyanine iodide are: (1)#H bond acceptors: 4; (2)#Freely Rotating Bonds: 6; (3)Polar Surface Area: 29.49Å2.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [I-].O\1c4ccccc4N(C/1=C/C=C/c3oc2ccccc2[n+]3CCC)CCC
(2)InChI: InChI=1/C23H25N2O2.HI/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h5-15H,3-4,16-17H2,1-2H3;1H/q+1;/p-1
(3)InChIKey: LWWWYHFXRJVZBL-REWHXWOFAH
(4)Std. InChI: InChI=1S/C23H25N2O2.HI/c1-3-16-24-18-10-5-7-12-20(18)26-22(24)14-9-15-23-25(17-4-2)19-11-6-8-13-21(19)27-23;/h5-15H,3-4,16-17H2,1-2H3;1H/q+1;/p-1
(5)Std. InChIKey: LWWWYHFXRJVZBL-UHFFFAOYSA-M

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