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129232-94-6 | 1,3,5-Triazin-2(1H)-one, 4,6-bis[(2-hydroxyethyl)amino]-, oxime (9CI)
CAS No: 129232-94-6 Catalog No: AG000Z0H MDL No:
Product Description
Catalog Number:
AG000Z0H
Chemical Name:
1,3,5-Triazin-2(1H)-one, 4,6-bis[(2-hydroxyethyl)amino]-, oxime (9CI)
CAS Number:
129232-94-6
Molecular Formula:
C7H14N6O3
Molecular Weight:
230.2245
IUPAC Name:
2-[[4-(hydroxyamino)-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
InChI:
InChI=1S/C7H14N6O3/c14-3-1-8-5-10-6(9-2-4-15)12-7(11-5)13-16/h14-16H,1-4H2,(H3,8,9,10,11,12,13)
InChI Key:
KEBNORUUPVRHHZ-UHFFFAOYSA-N
SMILES:
OCCNc1nc(NCCO)[nH]c(=NO)n1
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.113g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
230.228g/mol
Monoisotopic Mass:
230.113g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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