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Chemical ID: 7106691
Chemical ID:
7106691
Name [?]:
N'-[(4-ethoxy-3-methoxy-phenyl)methyl]-N,N-diethyl-ethane-1,2-diamine
SMILES [?]:
CCN(CC)CCNCc1ccc(c(c1)OC)OCC
InChi [?]:
InChI=1/C16H28N2O2/c1-5-18(6-2)11-10-17-13-14-8-9-15(20-7-3)16(12-14)19-4/h8-9,12,17H,5-7,10-11,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,20,17,2,4,19,11,12,7,6,15,9,10,13,14,8,3,16,18/E:(1,2)(5,6)/rA:20nCCNCCCCNCCCCCCCOCOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H28N2O2 |
All Atoms: | 48 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56858 |
Area: | 534.381 |
Solvation: | -4.79094 |
Coulombic: | -28.6539 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 280.406 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.22 |
LogP (Chemaxon): | 2.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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