Free Chemical Databases
-
[Synonyms]
4-di-n-Butylaminobutanol-1
4-(Dibutylamino)-1-butanol
NSC166441
94473-23-1
[Structure]
[ Properties Computed from Structure]
Molecular Weight 201.34888 [g/mol] Molecular Formula C12H27NO XLogP 2.8 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 10 Exact Mass 201.209264 MonoIsotopic Mass 201.209264 Topological Polar Surface Area 23.5 Heavy Atom Count 14 Formal Charge 0 Complexity 98.5 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-(dibutylamino)butan-1-ol
Canonical SMILES: CCCCN(CCCC)CCCCO
InChI: InChI=1/C12H27NO/c1-3-5-9-13(10-6-4-2)11-7-8-12-14/h14H,3-12H2,1-2H3
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