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Home> Encyclopedia >   /  Vitamins, Amino Acids and Coenzymes  /  Pharmaceutical Intermediates  /  Organic Intermediate  /  Food Additives  /  Pharmaceutical
2-Propenoic acid, 2-(methylamino)ethyl ester, N-((gamma-omega-perfluoro-C8-14-alkyl)sulfonyl) derivs, reaction products with polyethylene glycol bis(thioglycolate) structure
2-Propenoic acid, 2-(methylamino)ethyl ester, N-((gamma-omega-perfluoro-C8-14-alkyl)sulfonyl) derivs, reaction products with polyethylene glycol bis(thioglycolate) structure

2-Propenoic acid, 2-(methylamino)ethyl ester, N-((gamma-omega-perfluoro-C8-14-alkyl)sulfonyl) derivs, reaction products with polyethylene glycol bis(thioglycolate)

Iupac Name:7,8-dimethyl-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridine-2,4-dione
CAS No.:83-88-5
Molecular Weight:376.369
1. Names and Identifiers
1.1 Name
2-Propenoic acid, 2-(methylamino)ethyl ester, N-((gamma-omega-perfluoro-C8-14-alkyl)sulfonyl) derivs, reaction products with polyethylene glycol bis(thioglycolate)
1.2 Synonyms

2-Propenoic acid, 2-(methylamino)ethyl ester, N-[(γ-ω-perfluoro-C8-14-alkyl)sulfonyl] derivs., reaction products with polyethylene glycol bis(thioglycolate)

1.3 CAS No.
83-88-5
1.4 CID
493570
1.5 Inchi
InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1
1.6 InChkey
AUNGANRZJHBGPY-SCRDCRAPSA-N
1.7 Canonical Smiles
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
1.8 Isomers Smiles
CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O
2. Properties
3.1 Melting point
280 deg C (decomposes)
3.1 Refractive index
1.733
3.1 Flash Point
130.6°C
3.1 Precise Quality
376.13800
3.1 PSA
161.56000
3.1 logP
-1.67520
3. Safety and Handling
4.1 Symbol
GHS02, GHS06, GHS08
4.1 Signal Word
Danger
4.1 Risk Statements
11-23/24/25-39/23/24/25
4.1 Safety Statements
S24/25
4.1 Hazard Declaration
H225-H301 + H311 + H331-H370
4.1 RIDADR
25kgs
4.1 Caution Statement
P210-P260-P280-P301 + P310-P311
4.1 WGK Germany
1
4.1 RTECS
VJ1400000
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:376.369g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:
  • Exact Mass:376.13828437
  • Monoisotopic Mass:376.13828437
  • Complexity:680
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:155
  • Heavy Atom Count:27
  • Defined Atom Stereocenter Count:3
  • 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
  • Riboflavin is a B vitamin. It is involved in many processes in the body and is necessary for normal cell growth and function. It can be found in certain foods such as milk, meat, eggs, nuts, enriched flour, and green vegetables. Riboflavin is frequently used in combination with other B vitamins in ...
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