Product Name

  • Name

    (2,3,4,5,6-pentahydroxyhexylideneamino)urea

  • EINECS
  • CAS No. 6936-69-2
  • Density 1.754 g/cm3
  • Solubility
  • Melting Point
  • Formula C7H15N3O6
  • Boiling Point
  • Molecular Weight 237.21
  • Flash Point
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 6936-69-2 ((2,3,4,5,6-pentahydroxyhexylideneamino)urea)
  • Hazard Symbols
  • Synonyms Galactose,semicarbazone, D- (8CI);D-Galactose semicarbazone;NSC 19779;[(E)-2,3,4,5,6-Pentahydroxyhexylideneamino]urea;
  • PSA 168.63000
  • LogP -2.83240

D-Galactose,(aminocarbonyl)hydrazone (9CI) Specification

The D-Galactose,(aminocarbonyl)hydrazone (9CI), with the CAS registry number 6936-69-2, is also known as D-Galactose semicarbazone. This chemical's molecular formula is C7H15N3O6 and molecular weight is 237.21. What's more, its systematic name is [(E)-2,3,4,5,6-pentahydroxyhexylideneamino]urea.

Physical properties of D-Galactose,(aminocarbonyl)hydrazone (9CI) are: (1)ACD/LogP: -1.42; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -2; (4)ACD/LogD (pH 7.4): -2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 168.63 Å2; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 47.938 cm3; (15)Molar Volume: 135.261 cm3; (16)Polarizability: 19.004×10-24cm3; (17)Surface Tension: 80.62 dyne/cm; (18)Density: 1.754 g/cm3.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(C(C(C(C=NNC(=O)N)O)O)O)O)O
(2)Isomeric SMILES: C(C(C(C(C(/C=N/NC(=O)N)O)O)O)O)O
(3)InChI: InChI=1S/C7H15N3O6/c8-7(16)10-9-1-3(12)5(14)6(15)4(13)2-11/h1,3-6,11-15H,2H2,(H3,8,10,16)/b9-1+
(4)InChIKey: NOUQGOYNEGWDCZ-XLUWADSXSA-N

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