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Chemical ID: 6637845
Chemical ID:
6637845
Name [?]:
2-(2,4-diethyloctoxy)-N-[2-(2,4-diethyloctoxy)ethyl]-N-methyl-ethanamine
SMILES [?]:
CCCCC(CC)CC(CC)COCCN(C)CCOCC(CC)CC(CC)CCCC
InChi [?]:
InChI=1/C29H61NO2/c1-8-14-16-26(10-3)22-28(12-5)24-31-20-18-30(7)19-21-32-25-29(13-6)23-27(11-4)17-15-9-2/h26-29H,8-25H2,1-7H3
InChi Info:
AuxInfo=1/0/N:1,32,7,28,11,24,17,2,31,6,27,10,23,3,30,4,29,15,18,14,19,8,25,12,21,5,26,9,22,16,13,20/E:(1,2)(3,4)(5,6)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(22,23)(24,25)(26,27)(28,29)(31,32)/rA:32cCCCCCCCCCCCCOCCNCCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s5;s8;s9;s10;s9;s12;s13;s14;s15;s16;s16;s18;s19;s20;s21;s22;s23;s22;s25;s26;s27;s26;s29;s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H61NO2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 4 |
ZAP Information [?]
Total: | 17.2598 |
Area: | 835.249 |
Solvation: | -3.62141 |
Coulombic: | -26.1848 |
Bond Count [?]
All: | 31 |
Single: | 31 |
Double: | 0 |
Rotors: | 24 |
Chiral: | 0 |
Rigid Segments: | 15 |
Chemical Properties
Molecular Weight: | 455.8 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 9.13 |
LogP (Chemaxon): | 8.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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