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Repellent 3535 ,BAAPE,EBAAP ,Merck 3535,Insect repellent merck 3535 ,E

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摘 要:Repellent 3535 ,BAAPE,EBAAP ,Merck 3535,Insect repellent merck 3535 ,Ethyl butylacetylaminopropionate,EINECS 257-835-0,Ethyl N-acetyl-N-butyl-beta-alaninate,IR 3535,N-Acetyl-N-butyl-beta-alanine, ethyl ester, ethyl 3-(acetyl-butylamino)propanoate,Can
[Synonyms]
Repellent 3535
BAAPE
EBAAP
Merck 3535
Insect repellent merck 3535
Ethyl butylacetylaminopropionate
EINECS 257-835-0
Ethyl N-acetyl-N-butyl-beta-alaninate
IR 3535
N-Acetyl-N-butyl-beta-alanine, ethyl ester

[Structure]
Repellent 3535 ,BAAPE,EBAAP ,Merck 3535,Insect repellent merck 3535 ,E

[ Properties Computed from Structure]
Molecular Weight215.28934 [g/mol]
Molecular FormulaC11H21NO3
XLogP1.5
H-Bond Donor0
H-Bond Acceptor3
Rotatable Bond Count8
Exact Mass215.152144
MonoIsotopic Mass215.152144
Topological Polar Surface Area46.6
Heavy Atom Count15
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: ethyl 3-(acetyl-butylamino)propanoate
Canonical SMILES: CCCCN(CCC(=O)OCC)C(=O)C
InChI: InChI=1/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3

 
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