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23099-64-1 | Ethanol, 2,2'-[[6-(phenylamino)-1,3,5-triazine-2,4-diyl]diimino]bis- (9CI)
CAS No: 23099-64-1 Catalog No: AG002M76 MDL No:
Product Description
Catalog Number:
AG002M76
Chemical Name:
Ethanol, 2,2'-[[6-(phenylamino)-1,3,5-triazine-2,4-diyl]diimino]bis- (9CI)
CAS Number:
23099-64-1
Molecular Formula:
C13H18N6O2
Molecular Weight:
290.3210
IUPAC Name:
2-[[4-anilino-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
InChI:
InChI=1S/C13H18N6O2/c20-8-6-14-11-17-12(15-7-9-21)19-13(18-11)16-10-4-2-1-3-5-10/h1-5,20-21H,6-9H2,(H3,14,15,16,17,18,19)
InChI Key:
JRPIMCOKQWCEAO-UHFFFAOYSA-N
SMILES:
OCCNc1nc(nc(n1)NCCO)Nc1ccccc1
EC Number:
245-429-6
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.149g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
290.327g/mol
Monoisotopic Mass:
290.149g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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