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Chemical ID: 6658078
Chemical ID:
6658078
Name [?]:
ethyl 3-dipropylaminopropanoate
SMILES [?]:
CCCN(CCC)CCC(=O)OCC
InChi [?]:
InChI=1/C11H23NO2/c1-4-8-12(9-5-2)10-7-11(13)14-6-3/h4-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,7,14,2,6,13,9,3,5,8,10,4,11,12/E:(1,2)(4,5)(8,9)/rA:14nCCCNCCCCCCOOCC/rB:s1;s2;s3;s4;s5;s6;s4;s8;s9;d10;s10;s12;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H23NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.16844 |
Area: | 434.942 |
Solvation: | -1.70511 |
Coulombic: | -23.9999 |
Bond Count [?]
All: | 13 |
Single: | 12 |
Double: | 1 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 201.306 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.91 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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