Free Chemical Databases
-
[Synonyms]
NSC376766
1-[4-(1-Hydroxyethyl)phenyl]-3,3-dimethyltriazene
1-(4-[(1E)-3,3-Dimethyl-1-triazenyl]phenyl)ethanol
86452-56-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 193.2456 [g/mol] Molecular Formula C10H15N3O XLogP 0.9 H-Bond Donor 1 H-Bond Acceptor 4 Rotatable Bond Count 3 Exact Mass 193.121512 MonoIsotopic Mass 193.121512 Topological Polar Surface Area 48.2 Heavy Atom Count 14 Formal Charge 0 Complexity 186 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-(4-dimethylaminodiazenylphenyl)ethanol
Canonical SMILES: CC(C1=CC=C(C=C1)N=NN(C)C)O
InChI: InChI=1/C10H15N3O/c1-8(14)9-4-6-10(7-5-9)11-12-13(2)3/h4-8,14H,
1-3H3/b12-11+
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