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Chemical ID: 6637842
Chemical ID:
6637842
Name [?]:
2-(2-ethylhexoxy)-N-[2-(2-ethylhexoxy)ethyl]-N-methyl-ethanamine
SMILES [?]:
CCCCC(CC)COCCN(C)CCOCC(CC)CCCC
InChi [?]:
InChI=1/C21H45NO2/c1-6-10-12-20(8-3)18-23-16-14-22(5)15-17-24-19-21(9-4)13-11-7-2/h20-21H,6-19H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,24,7,20,13,2,23,6,19,3,22,4,21,11,14,10,15,8,17,5,18,12,9,16/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(23,24)/rA:24cCCCCCCCCOCCNCCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;s10;s11;s12;s12;s14;s15;s16;s17;s18;s19;s18;s21;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H45NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.2906 |
Area: | 634.721 |
Solvation: | -4.57747 |
Coulombic: | -22.5859 |
Bond Count [?]
All: | 23 |
Single: | 23 |
Double: | 0 |
Rotors: | 18 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 343.588 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 6.39 |
LogP (Chemaxon): | 5.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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