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n'-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-n-(propan-2-yl)ethanediamide structure
n'-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-n-(propan-2-yl)ethanediamide structure

n'-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-n-(propan-2-yl)ethanediamide

Iupac Name:(2S,3S,4S,5R,6R)-6-[(2S,3R,5S,6R)-3-acetamido-2-[(2S,3S,4R,5R,6R)-6-[(2R,3R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-dihydroxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CAS No.:9004-61-9
Molecular Weight:776.651
1. Names and Identifiers
1.1 Name
n'-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]-n-(propan-2-yl)ethanediamide
1.2 Synonyms

MCULE-6045948084 MOLPORT-019-680-381 n-isopropyl-n'-[2-methyl-4-(thiomorpholine-4-carbonyl)phenyl]ethanediamide Z1019457484 ZINC65592708

1.3 CAS No.
9004-61-9
1.4 Molecular Formula
C18H26FN3O2 (isomer)
1.5 Inchi
InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18?,19?,20+,21+,22+,25-,26+,27-,28-/m1/s1
1.6 InChkey
KIUKXJAPPMFGSW-MNSSHETKSA-N
1.7 Canonical Smiles
OC[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@H](O[C@@H]3[C@@H](NC(C)=O)C(O[C@@H]4[C@@H](O)[C@H](O)C(O)[C@@H](C(O)=O)O4)[C@H](O)[C@@H](CO)O3)C(C(O)=O)O2)[C@@H](NC(C)=O)C(O)O1
2. Properties
3.1 Refractive index
1.666
3.1 Precise Quality
776.23300
3.1 PSA
399.71000
3.1 logP
-8.49480
3. Safety and Handling
4.1 Risk Statements
22-24/25
4.1 Safety Statements
22-24/25
4.1 WGK Germany
3
4.1 RTECS
MT7250000
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:776.651g/mol
  • Molecular Formula:C18H26FN3O2
  • Compound Is Canonicalized:True
  • Exact Mass:776.233
  • Monoisotopic Mass:776.233
  • Complexity:1300
  • Rotatable Bond Count:12
  • Hydrogen Bond Donor Count:14
  • Hydrogen Bond Acceptor Count:23
  • Topological Polar Surface Area:400A^2
  • Heavy Atom Count:53
  • Defined Atom Stereocenter Count:18
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
6. Question & Answer
  • Both are great ingredients for the skin, but they have different benefits. The main benefit of hyaluronic acid is skin hydration. In fact, hyaluronic acid belongs to a class of ingredients called HUMECTANTS. These ingredients are very good at attracting water… when applied they draw moisture from ...
  • It depends on how dehydrated your skin is. I usually need more HA in winter because I live in MN where the weather is brutally cold and the heater makes skin even drier than usual. In summer I tend to use less (only in cera ve lotion) is more than enough for my skin to feel hydrated and bouncy so i...
  • It doesn’t. Vitamin C (aka ascorbic acid) does play a vital role in the maturation of collagen fibrils and also at least one hydroxylation reaction thar’t I know of, but it does not interact with hyaluronic acid or other polysaccharides.
  • While your skincare might help sometimes it's not enough, that's where your hydrating primer comes into play. One popular ingredient to quench dry skin is hyaluronic acid. It's one of the best ways to boost hydration and an good primer too.
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