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Home Aminos 2-Anilino-6-dibutylamino-3-methylfluoran

2-Anilino-6-dibutylamino-3-methylfluoran

CAS No.:
89331-94-2
Catalog Number:
AG00334K
Molecular Formula:
C35H36N2O3
Molecular Weight:
532.6719
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$10
- +
5g
98%
In Stock USA
United States
$38
- +
10g
98%
In Stock USA
United States
$62
- +
25g
98%
In Stock USA
United States
$125
- +
100g
98%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG00334K
Chemical Name:
2-Anilino-6-dibutylamino-3-methylfluoran
CAS Number:
89331-94-2
Molecular Formula:
C35H36N2O3
Molecular Weight:
532.6719
MDL Number:
MFCD00307579
IUPAC Name:
2'-anilino-6'-(dibutylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
InChI:
InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3
InChI Key:
XAAILNNJDMIMON-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)cc(c(c1)C)Nc1ccccc1)CCCC
Properties
Complexity:
837  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
532.273g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
532.684g/mol
Monoisotopic Mass:
532.273g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7  
Literature
Title Journal
Treatment of 2-phenylamino-3-methyl-6-di-n-butylaminofluoran production effluent by combination of biological treatments and Fenton's oxidation. Journal of environmental sciences (China) 20070101
Properties