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Substance Name: Celestin blue
RN: 1562-90-9
UNII: T83565QF0P
InChIKey: VXAFJUDTZSMEFN-UHFFFAOYSA-N

Molecular Formula

  • C17-H18-N3-O4.Cl

Molecular Weight

  • 363.799
 
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Names and Synonyms

Name of Substance

  • Celestin Blue
  • Celestine Blue

Synonyms

  • C.I. 51050
  • Celestin Blue
  • Celestin blue B
  • Celestine Blue
  • Coreine Blue B
  • Coreine RR No. 65
  • EINECS 216-346-2
  • Gallo Sky Blue B
  • Gallo Sky Blue S
  • NSC 7823
  • UNII-T83565QF0P

Systematic Names

  • 1-Carbamoyl-7-(diethylamino)-3,4-dihydroxyphenoxazin-5-ium chloride
  • 1-Carbamoyl-7-(diethylamino)-3,4-dihydroxyphenoxazinium chloride
  • C.I. Mordant Blue 14 (8CI)
  • Phenoxazin-5-ium, 1-(aminocarbonyl)-7-(diethylamino)-3,4-dihydroxy-, chloride (9CI)

Registry Numbers

CAS Registry Number

  • 1562-90-9

FDA UNII

  • T83565QF0P

System Generated Number

  • 0001562909

Molecular Formulas

Molecular Formula

  • C17-H18-N3-O4.Cl

Molecular Formula Fragments

  • C17-H18-N3-O4
  • Cl
  • COMPONENT

Structure Descriptors

InChI

1S/C17H17N3O4.ClH/c1-3-20(4-2)9-5-6-11-13(7-9)24-16-14(19-11)10(17(18)23)8-12(21)15(16)22;/h5-8H,3-4H2,1-2H3,(H3-,18,19,21,22,23);1H

InChIKey

VXAFJUDTZSMEFN-UHFFFAOYSA-N

Smiles

c12[o+]c3cc(N(CC)CC)ccc3nc1c(C(=O)N)cc(c2O)O.[ClH-]

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.510 (none)   EST
Water Solubility 2.00E+04 mg/L   EXP
Atmospheric OH Rate Constant 2.20E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.