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Chemical ID: 4732167
Chemical ID:
4732167
Name [?]:
methyl 6-diethylaminopyridine-3-carboxylate
SMILES [?]:
CCN(CC)c1ccc(cn1)C(=O)OC
InChi [?]:
InChI=1/C11H16N2O2/c1-4-13(5-2)10-7-6-9(8-12-10)11(14)15-3/h6-8H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,15,2,4,8,7,10,9,6,12,11,3,13,14/E:(1,2)(4,5)/rA:15nCCNCCCCCCCNCOOC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H16N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.93668 |
Area: | 402.457 |
Solvation: | -2.12475 |
Coulombic: | -31.1018 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 208.257 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.49 |
LogP (Chemaxon): | 1.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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