Free Chemical Databases
-
[Synonyms]
37846-06-3
[Structure]
[ Properties Computed from Structure]
Molecular Weight 135.20622 [g/mol] Molecular Formula C9H13N XLogP 2.6 H-Bond Donor 1 H-Bond Acceptor 1 Rotatable Bond Count 2 Exact Mass 135.104799 MonoIsotopic Mass 135.104799 Topological Polar Surface Area 12 Heavy Atom Count 10 Formal Charge 0 Complexity 82.7 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: 4-ethyl-N-methylaniline
Canonical SMILES: CCC1=CC=C(C=C1)NC
InChI: InChI=1/C9H13N/c1-3-8-4-6-9(10-2)7-5-8/h4-7,10H,3H2,1-2H3
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