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125797-48-0 | Phenol, 3-[[4-amino-6-(1-methylethenyl)-1,3,5-triazin-2-yl]amino]-
CAS No: 125797-48-0 Catalog No: AG000OQY MDL No:
Product Description
Catalog Number:
AG000OQY
Chemical Name:
Phenol, 3-[[4-amino-6-(1-methylethenyl)-1,3,5-triazin-2-yl]amino]-
CAS Number:
125797-48-0
Molecular Formula:
C12H13N5O
Molecular Weight:
243.2645
IUPAC Name:
3-[(4-amino-6-prop-1-en-2-yl-1,3,5-triazin-2-yl)amino]phenol
InChI:
InChI=1S/C12H13N5O/c1-7(2)10-15-11(13)17-12(16-10)14-8-4-3-5-9(18)6-8/h3-6,18H,1H2,2H3,(H3,13,14,15,16,17)
InChI Key:
GRDIMFJYTZZUFR-UHFFFAOYSA-N
SMILES:
Nc1nc(Nc2cccc(c2)O)nc(n1)C(=C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.27g/mol
Monoisotopic Mass:
243.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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