Benzamide,N,N-dibutyl-2-methyl- 5448-40-8 98%
【Name】
Benzamide,N,N-dibutyl-2-methyl-
【CAS Registry number】
5448-40-8
【Synonyms】
o-Toluamide,N,N-dibutyl- (8CI)
N,N-Dibutyl-o-toluamide
NSC 17946
【Molecular Formula】
C16H25 N O (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C19H17BrF3N3O3/c1-29-16-6-5-12(9-15(16)20)11-24-26-18(28)8-7-17(27)25-14-4-2-3-13(10-14)19(21,22)23/h2-6,9-11H,7-8H2,1H3,(H,25,27)(H,26,28)
【Canonical SMILES】
CCCCN(CCCC)C(=O)C1=CC=CC=C1C
【MOL File】
5448-40-8.mol
Chemical and Physical Properties
【Density】
0.951g/cm3
【Boiling Point】
376.1°Cat760mmHg
【Refractive Index】
1.563
【Flash Point】
163.2°C
【Computed Properties】
Molecular Weight:247.3758 [g/mol]
Molecular Formula:C16H25NO
XLogP3:4.9
H-Bond Donor:0
H-Bond Acceptor:1
Rotatable Bond Count:7
Exact Mass:247.193614
MonoIsotopic Mass:247.193614
Topological Polar Surface Area:20.3
Heavy Atom Count:18
Formal Charge:0
Complexity:231
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
Feature 3D Acceptor Count:1
Feature 3D Hydrophobe Count:2
Feature 3D Ring Count:1
Effective Rotor Count:8
Conformer Sampling RMSD:0.8
CID Conformer Count:101
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