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14134-79-3

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Basic Information
CAS No.: 14134-79-3
Name: 3 3'-DIMETHYLOXACARBOCYANINE IODIDE 98
Article Data: 7
Molecular Structure:
Molecular Structure of 14134-79-3 (3 3'-DIMETHYLOXACARBOCYANINE IODIDE 98)
Formula: C19H17IN2O2
Molecular Weight: 432.261
Synonyms: 3-Methyl-2-[3-(3-methyl-2-benzoxazolinylidene)propenyl]benzoxazoliumiodide (6CI);Benzoxazolium,3-methyl-2-[3-(3-methyl-2(3H)-benzoxazolylidene)-1-propenyl]-, iodide (9CI);Benzoxazolium, 3-methyl-2-[3-(3-methyl-2-benzoxazolinylidene)propenyl]-, iodide(8CI);3,3'-Dimethyl-2,2'-oxacarbocyanine iodide;3,3'-Dimethyloxacarbocyanineiodide;
EINECS: 237-987-4
Melting Point: 262℃
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 35.09000
LogP: 0.12100
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Specification

The CAS register number of 3,3'-Dimethyloxacarbocyanine iodide is 14134-79-3. It also can be called as Benzoxazolium,3-methyl-2-[3-(3-methyl-2(3H)-benzoxazolylidene)-1-propenyl]-, iodide (9CI) and the systematic name about this chemical is 3-methyl-2-[(1E,3E)-3-(3-methyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-1,3-benzoxazol-3-ium iodide. The molecular formula about this chemical is C19H17IN2O2 and the molecular weight is 432.25495.

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

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use this chemical, 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+]3C)C
(2)InChI: InChI=1/C19H17N2O2.HI/c1-20-14-8-3-5-10-16(14)22-18(20)12-7-13-19-21(2)15-9-4-6-11-17(15)23-19;/h3-13H,1-2H3;1H/q+1;/p-1
(3)InChIKey: PXGXZGVGEDLSMW-REWHXWOFAO
(4)Std. InChI: InChI=1S/C19H17N2O2.HI/c1-20-14-8-3-5-10-16(14)22-18(20)12-7-13-19-21(2)15-9-4-6-11-17(15)23-19;/h3-13H,1-2H3;1H/q+1;/p-1
(5)Std. InChIKey: PXGXZGVGEDLSMW-UHFFFAOYSA-M