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Chemical ID: 4760392
Chemical ID:
4760392
Name [?]:
ethyl 3-amino-4-(1-piperidyl)benzoate
SMILES [?]:
CCOC(=O)c1ccc(c(c1)N)N2CCCCC2
InChi [?]:
InChI=1/C14H20N2O2/c1-2-18-14(17)11-6-7-13(12(15)10-11)16-8-4-3-5-9-16/h6-7,10H,2-5,8-9,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,15,17,7,8,14,18,11,6,10,9,4,12,13,5,3/E:(4,5)(8,9)/rA:18nCCOCOCCCCCCNNCCCCC/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s9;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20N2O2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.10528 |
Area: | 448.942 |
Solvation: | -2.11827 |
Coulombic: | -43.0457 |
Bond Count [?]
All: | 19 |
Single: | 15 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 248.321 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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