3-[2-(dimethylamino)ethyl] 5-{2-[(2-hydroxybenzoyl)amino]ethyl} 4-{2-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
- Iupac Name:(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
- CAS No.: 9005-25-8
- Molecular Weight:342.3
- Modify Date.: 2022-03-23 05:10
1. Names and Identifiers
- 1.1 Name
- 3-[2-(dimethylamino)ethyl] 5-{2-[(2-hydroxybenzoyl)amino]ethyl} 4-{2-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
- 1.2 CAS No.
- 9005-25-8
- 1.3 CID
- 439341
- 1.4 Molecular Formula
- C20H16O4S (isomer)
- 1.5 Inchi
- InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11+,12-/m1/s1
- 1.6 InChkey
- GUBGYTABKSRVRQ-ASMJPISFSA-N
- 1.7 Canonical Smiles
- C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O
- 1.8 Isomers Smiles
- C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
2. Properties
- 3.1 Density
- 1.4±0.1 g/cm3 (Predicted)
- 3.1 Melting point
- 256-258°C
- 3.1 Refractive index
- 1.652
- 3.1 Flash Point
- 310.0±25.9 °C (Predicted)
- 3.1 Vapour pressure
- 0mmHg at 25°C
- 3.1 Precise Quality
- 342.11600
- 3.1 PSA
- 189.53000
- 3.1 logP
- -5.39720
3. Safety and Handling
- 4.1 Risk Statements
- 36-20/21/22
- 4.1 Safety Statements
- 26-24/25
- 4.1 RIDADR
- NONH for all modes of transport
- 4.1 WGK Germany
- 1
- 4.1 RTECS
- GM5090000
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
5. Computational chemical data
- Molecular Weight: 342.3g/mol
- Molecular Formula: C20H16O4S
- Compound Is Canonicalized: True
- XLogP3-AA: -4.7
- Exact Mass: 342.11621151
- Monoisotopic Mass: 342.11621151
- Complexity: 382
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 11
- Topological Polar Surface Area: 190
- Heavy Atom Count: 23
- Defined Atom Stereocenter Count: 10
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADceBwPAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAGgAACAAACBSwgAMACAAABgAAAAAAAAAAAAAAAAAAAAAAAAAREAIAAAAiQAAFAAAHAAHAYAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
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Oogoo is an easy and cheap way of creating silicone rubber objects from a hand-formable putty. Basically: just mix silicone caulk with starch (I'm using acetate moisture absorbing silicone caulking and corn starch), the silicone in the mixture sets in about 10 minutes. Links (there are also some re...
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I know nothing about this topic, but in my opinion yes, yes. The processing of food to prolong shelf life, and its packaging is a huge problem. I know of too many banned, or dangerous substances, ie chemcials etc, being used to preserve food, but which have huge side -effects, ie that are harmful t...
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Well, starch? Iodine turns from yellow-brown to black when exposed to starch, so the leaf had starch in it.
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It is glucose, an aldohexose. Starch is a polysaccharide composed of glucose units. On complete hydrolysis it is broken down to simple glucose units. The formula of glucose is C6H12O6 and it is monosaccharide.
8. Realated Product Infomation
-
92565-65-6
3-{2-[(2-hydroxybenzoyl)amino]ethyl} 5-{2-[(3-pyridinylcarbonyl)amino]ethyl} 4-{3-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
-
92565-70-3
3-(2-{[4-(acetylamino)benzoyl]oxy}ethyl) 5-{2-[(2-hydroxybenzoyl)amino]ethyl} 4-{3-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
-
92565-47-4
3-ethyl 5-{2-[(2-hydroxybenzoyl)amino]ethyl} 4-{5-nitro-2-thienyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
-
797013-87-7
3-[2-(dimethylamino)ethyl] 5-{2-[(3-pyridinylcarbonyl)amino]ethyl} 4-{3-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
-
61494-65-3
3,5-Pyridinedicarboxylic acid,1-[2-(dimethylamino)ethyl]-1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,diethyl ester
-
71791-71-4
2-(N,N-dimethylamino)ethyl methyl 1,4-dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylate hydrochloride
-
89055-23-2
3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-,2-[[2-(dimethylamino)ethyl]thio]ethyl methyl ester, hydrochloride