Morpholine, 4-(2-ethoxy-4-pyridinyl)- (9CI) structure

3D Mol Similar

Morpholine, 4-(2-ethoxy-4-pyridinyl)- (9CI)

Iupac Name：triphenylmethanol

CAS No.：76-84-6

Molecular Weight：260.32974

Modify Date.：2022-02-11

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1. Names and Identifiers

1.1 Name: Morpholine, 4-(2-ethoxy-4-pyridinyl)- (9CI)
1.2 Synonyms: Morpholine, 4-(2-ethoxy-4-pyridinyl)-

1.3 CAS No.: 76-84-6

1.4 CID: 6457

1.5 Molecular Formula: C₈H₁₃NO₃ (isomer)

1.6 Inchi: InChI=1S/C19H16O/c20-19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,20H

1.7 InChkey: LZTRCELOJRDYMQ-UHFFFAOYSA-N

1.8 Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

1.9 Isomers Smiles: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

2. Properties

3.1 Melting point: 160-164℃

3.1 Refractive index: 1.621

3.1 Precise Quality: 260.12000

3.1 PSA: 20.23000

3.1 logP: 3.97080

3.1 pKa: 6.74±0.38(Predicted)

3. Safety and Handling

4.1 Risk Statements: R38

4.1 Safety Statements: S22;S24/25

4.1 WGK Germany: 3

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

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5. Computational chemical data

Molecular Weight：260.32974g/mol
Molecular Formula：C_₈H_₁₃NO_₃
Compound Is Canonicalized：True
XLogP3-AA：
Exact Mass：260.120115130
Monoisotopic Mass：260.120115130
Complexity：235
Rotatable Bond Count：3
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：20.2
Heavy Atom Count：20
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

6. Question & Answer

Why does the reaction used to synthesis triphenylmethanol not produce any alkenes through elimination reaction? Apr 07 2022
Triphenylmethanol is Ph3COH and it does not have an alpha hydrogen adjacent to the -OH group. Therefore, elimination of water molecule does not occur.
Why might the O—H stretch in the IR of MY triphenylmethanol product be less intense than expected? Oct 20 2021
Why might the O—H stretch in the IR of MY triphenylmethanol product be less intense than expected when compared to the expected IR for triphenylmethanol? I'm interpreting the IR I took of my product, triphenylmethanol, to the expected IR I obtained from SDBS. My IR: SDBS: We performed a Grignard R...
Why might the yield of my synthesis of triphenylmethanol be so poor? Jul 26 2021
I performed the classic Grignard reagent formation leading into the preparation and purification of triphenylmethanol using phenylmagnesium bromide as my Grignard, and benzophenone as the reagent for the subsequent reaction. In the formation of the Grignard reagent, I used Mg turnings to react with...
Mechanism of reaction between triphenylmethanol and acetyl chloride Jun 06 2021
I am reading an old method for making triphenylchloromethane ( Org. Synth. 1943 , 23 , 100 ): When I draw out the structures of the molecules, I see this: But the S N 1 S N 1 mechanism doesn't make sense to me since O H X ? O H X ? is a bad leaving group, and there is nothing to protonate it.

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