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Chemical ID: 4508955
Chemical ID:
4508955
Name [?]:
4-ethoxy-3,5-diisopropyl-aniline
SMILES [?]:
CCOc1c(cc(cc1C(C)C)N)C(C)C
InChi [?]:
InChI=1/C14H23NO/c1-6-16-14-12(9(2)3)7-11(15)8-13(14)10(4)5/h7-10H,6,15H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,11,12,15,16,2,8,6,10,14,7,9,5,4,13,3/E:(2,3,4,5)(7,8)(9,10)(12,13)/rA:16nCCOCCCCCCCCCNCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s10;s7;s5;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.855 |
Area: | 421.906 |
Solvation: | -1.69265 |
Coulombic: | -25.9099 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 221.339 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 3.93 |
LogP (Chemaxon): | 3.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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