3-[2-[2-[2-[2-[2-[2-[5-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;chloride structure

3D Mol Similar

3-[2-[2-[2-[2-[2-[2-[5-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;chloride

Iupac Name：propan-2-yl hexadecanoate

CAS No.：142-91-6

Molecular Weight：298.511

Request For Quotation

1. Names and Identifiers

1.1 Name: 3-[2-[2-[2-[2-[2-[2-[5-[1-[2-[2-[2-[2-[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3,3-dimethylindol-2-ylidene]penta-1,3-dienyl]-3,3-dimethylindol-1-ium-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;chloride

2. Properties

3.1 Melting point: 11-13℃

3.1 Refractive index: 1.438

3.1 Vapour pressure: 8.44E-05mmHg at 25°C

3.1 Precise Quality: 298.28700

3.1 PSA: 26.30000

3.1 logP: 6.41930

3. Safety and Handling

4.1 Risk Statements: R36/37/38

4.1 Safety Statements: S26;S36

4.1 RIDADR: 170Kgs

4.1 WGK Germany: -

4.1 RTECS: RT4900000

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

View all

5. Computational chemical data

Molecular Weight：298.511g/mol
Molecular Formula：C_₂₇H_₄₂N_₈O_₈
Compound Is Canonicalized：True
XLogP3-AA：8.2
Exact Mass：298.287180451
Monoisotopic Mass：298.287180451
Complexity：224
Rotatable Bond Count：16
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：26.3
Heavy Atom Count：21
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1

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