Free Chemical Databases
-
[Synonyms]
N-Ethyl-N'-phenylguanidine
NCIOpen2_001170
NSC85269
AIDS125805
AIDS-125805
NSC 85269
17853-20-2
[Structure]
[ Properties Computed from Structure]
Molecular Weight 163.21962 [g/mol] Molecular Formula C9H13N3 XLogP 1.6 H-Bond Donor 2 H-Bond Acceptor 3 Rotatable Bond Count 3 Tautomer Count 3 Exact Mass 163.110947 MonoIsotopic Mass 163.110947 Topological Polar Surface Area 50.4 Heavy Atom Count 12 Formal Charge 0 Complexity 148 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-ethyl-1-phenylguanidine
Canonical SMILES: CCN=C(N)NC1=CC=CC=C1
InChI: InChI=1/C9H13N3/c1-2-11-9(10)12-8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H3,10,11,
12)/f/h12H,10H2/b11-9+
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