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Home> Hot Product Listed P   > Pyridinium,1-[3-[[3-(3,3-dimethyl-1-triazen-1-yl)phenyl]amino]-3-oxopropyl]-, chloride(1:1)
51246-79-8 structure

Pyridinium,1-[3-[[3-(3,3-dimethyl-1-triazen-1-yl)phenyl]amino]-3-oxopropyl]-, chloride(1:1)

Iupac Name:4-amino-1-[(2R,4S,5R)-4-fluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CAS No.:51246-79-8
EINECS(EC#): 211-378-3
Molecular Weight:229.211
Molecular Formula:C21H22IOP (isomer)
Names and Identifiers
Synonyms

1-(3-((3-(3,3-dimethyl-1-triazenyl)phenyl)amino)-3-oxopropyl)pyridinium chloride 3-(3,3-dimethyltriazeno)phenylaminocarbonylethylpyridinium chloride HE318571 LS-132476 n-(3-dimethylaminodiazenylphenyl)-3-pyridin-1-yl-propanamide chloride n-[3-(dimethylaminodiazenyl)phenyl]-3-pyridin-1-ium-1-ylpropanamide chloride pyridinium, 1-(3-((3-(3,3-dimethyl-1-triazenyl)phenyl)amino)-3-oxopropyl)-, chloride Pyridinium,1-[3-[[3-(3,3-dimethyl-1-triazenyl)phenyl]amino]-3-oxopropyl]-, chloride (9CI)

Inchi
InChI=1S/C9H12FN3O3/c10-5-3-8(16-6(5)4-14)13-2-1-7(11)12-9(13)15/h1-2,5-6,8,14H,3-4H2,(H2,11,12,15)/t5-,6+,8+/m0/s1
InChkey
HNSUDSIHCJEYQG-SHYZEUOFSA-N
Canonical Smiles
C1C(C(OC1N2C=CC(=NC2=O)N)CO)F
Isomers Smiles
C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)F
Properties
Density
0.95
Refractive Index
1.665
Flash Point
147.9°C
Computational chemical data
  • Molecular Weight:229.211g/mol
  • Molecular Formula:C21H22IOP
  • Compound Is Canonicalized:True
  • XLogP3-AA:_0.9
  • Exact Mass:229.086
  • Monoisotopic Mass:229.086
  • Complexity:358
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:88.2A^2
  • Heavy Atom Count:16
  • 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
  • CACTVS Substructure Key Fingerprint: AAADccBzMQAAAAAAAAAAAAAAAAAAASAAAAAgAAAAAAAAAAAAAAAAHwAQCAAACBThgAYBAANABgCo ACJmdACAAAEAAgAIAAAYABCBEAIAgAAOQAAEFgIDAACwMAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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