Benzamide,N-[6-(acetylamino)-3-pyridinyl]- structure

3D Mol Similar

Benzamide,N-[6-(acetylamino)-3-pyridinyl]-

Iupac Name：calcium;dichloride;dihydrate

CAS No.: 10035-04-8

Molecular Weight：147.01

Modify Date.: 2022-06-13 11:45

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1. Names and Identifiers

1.1 Name: Benzamide,N-[6-(acetylamino)-3-pyridinyl]-
1.2 Synonyms: Benzamide, N-[6-(acetylamino)-3-pyridinyl]- (9CI) CHEMBL4247493 CTK5D1790 DTXSID90384629 MCULE-2398309312 N-(6-acetamidopyridin-3-yl)benzamide N-[6-(acetylamino)-3-pyridinyl]benzamide Oprea1_317799 ZINC153564

1.3 CAS No.: 10035-04-8

1.4 CID: 6093260

1.5 Molecular Formula: C₁₆H₁₄N₂O (isomer)

1.6 Inchi: InChI=1S/Ca.2ClH.2H2O/h;2*1H;2*1H2/q+2;;;;/p-2

1.7 InChkey: LLSDKQJKOVVTOJ-UHFFFAOYSA-L

1.8 Canonical Smiles: O.O.[Cl-].[Cl-].[Ca+2]

1.9 Isomers Smiles: O.O.[Cl-].[Cl-].[Ca+2]

2. Properties

3.1 Melting point: 30?°C

3.1 Refractive index: 1.531

3.1 Vapour pressure: 0.01 mm Hg ( 20 °C)

3.1 Precise Quality: 145.92100

3.1 PSA: 18.46000

3.1 logP: 1.25040

3. Safety and Handling

4.1 Risk Statements: R36

4.1 Safety Statements: S22;S24

4.1 WGK Germany: 1

4.1 RTECS: EV9830000

4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H319 Causes serious eye irritation
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all

5. Computational chemical data

Molecular Weight: 147.01g/mol
Molecular Formula: C_₁₆H_₁₄N_₂O
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 145.9214256
Monoisotopic Mass: 145.9214256
Complexity: 0
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 4
Topological Polar Surface Area: 2
Heavy Atom Count: 5
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: 5
CACTVS Substructure Key Fingerprint: AAADcYAAMAAGAAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

6. Question & Answer

What is the amount of Calcium chloride dihydrate in grams needed to make a 250 mL solution with a final Normality of 2,000 meq/L? Mar 01 2022
So let’s start with normality. Yes, it deals with equivalents, but that is where the simplicity ends. The definition of an equivalent is dependent upon how the solute is used. So supposed we are worried about iron(III) in solution. If that iron (II) is going to iron(II) then one of mole of iron(II...
If I dissolve 0.1M of CaCl2.2H2O in water, do I get a 0.1M CaCl2 solution? [closed] Nov 16 2021
First, try to be clear. Nobody can dissolve 0.1 M of anything in water. 0.1 M is not an amount. It is a concentration. I think you should replace "M" by "mole". Second, you must mention the amount of water used to dissolve your product, or the final volume. I think you should rewrite your demand in...
Calculating molar conductance of CaCl2 Oct 04 2021
Ok, so the following question is given in my text book. Of the molar conductance value of C a X 2 + " style="position: relative;" tabindex="0" id="MathJax-Element-2-Frame" class="MathJax" C a X 2 + C a X 2 + and C l X − " style="position: relative;" tabindex="0" id="MathJax-Element-3-Fra...
What makes the enthalpy of hydration of calcium chloride dihydrate unique? [closed] Sep 30 2021
The heats of hydration of your salts, plus some others, can be obtained by subtracting the heat of formation of the anhydrous from the heat of formation of the hydrated salt, using the numerical values from the Handbook of Chemistry and Physics, 43rd Ed., 1961, pages 1807 - 1831. The so obtained va...

8. Realated Product Infomation

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36844-93-6 Benzamide,4-(acetylamino)-N-(3-methyl-2-pyridinyl)-

58202-87-2 Benzamide,3-(acetylamino)-

58202-83-8 Benzamide, 4-(acetylamino)-

88542-60-3 Benzamide, 4-(acetylamino)-N-[4-(acetylamino)phenyl]-

896160-59-1 Benzamide, N-[6-(acetylamino)-3-pyridinyl]-2-methyl-5-nitro-

896160-65-9 Benzamide, N-[6-(acetylamino)-3-pyridinyl]-5-amino-2-methyl-

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