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
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
5. Computational chemical data
- Molecular Weight: 147.01g/mol
- Molecular Formula: C16H14N2O
- 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
-
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...
-
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...
-
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...
-
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