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NSC108748 4-(5-chlorobenzotriazol-1-yl)-N,N-diethylpentan-1-amine,Cano

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摘 要:NSC108748 4-(5-chlorobenzotriazol-1-yl)-N,N-diethylpentan-1-amine,Canonical SMILES: CCN(CC)CCCC(C)N1C2=C(C=C(C=C2)Cl)N=N1,InChI: InChI=1/C15H23ClN4/c1-4-19(5-2)10-6-7-12(3)20-15-9-8-13(16)11-14(15)17-,18-20/h8-9,11-12H,4-7,10H2,1-3H3,Molecular Weight
[Synonyms]
NSC108748
[Structure]
NSC108748 4-(5-chlorobenzotriazol-1-yl)-N,N-diethylpentan-1-amine,Cano

[ Properties Computed from Structure]
Molecular Weight294.82292 [g/mol]
Molecular FormulaC15H23ClN4
XLogP3.4
H-Bond Donor0
H-Bond Acceptor4
Rotatable Bond Count7
Exact Mass294.161124
MonoIsotopic Mass294.161124
Topological Polar Surface Area34
Heavy Atom Count20
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count1
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 4-(5-chlorobenzotriazol-1-yl)-N,N-diethylpentan-1-amine
Canonical SMILES: CCN(CC)CCCC(C)N1C2=C(C=C(C=C2)Cl)N=N1
InChI: InChI=1/C15H23ClN4/c1-4-19(5-2)10-6-7-12(3)20-15-9-8-13(16)11-14(15)17-
18-20/h8-9,11-12H,4-7,10H2,1-3H3

 
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