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Chemical ID: 4585044
Chemical ID:
4585044
Name [?]:
N-(2-ethoxyethyl)-3-methoxy-aniline
SMILES [?]:
CCOCCNc1cccc(c1)OC
InChi [?]:
InChI=1/C11H17NO2/c1-3-14-8-7-12-10-5-4-6-11(9-10)13-2/h4-6,9,12H,3,7-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,9,8,10,5,4,12,7,11,6,13,3/rA:14nCCOCCNCCCCCCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.03109 |
Area: | 400.115 |
Solvation: | -3.97179 |
Coulombic: | -26.8084 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 195.258 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.82 |
LogP (Chemaxon): | 1.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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