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Chemical ID: 7106745
Chemical ID:
7106745
Name [?]:
N'-[(3,4-diethoxyphenyl)methyl]-N,N-diethyl-ethane-1,2-diamine
SMILES [?]:
CCN(CC)CCNCc1ccc(c(c1)OCC)OCC
InChi [?]:
InChI=1/C17H30N2O2/c1-5-19(6-2)12-11-18-14-15-9-10-16(20-7-3)17(13-15)21-8-4/h9-10,13,18H,5-8,11-12,14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,5,21,18,2,4,20,17,11,12,7,6,15,9,10,13,14,8,3,19,16/E:(1,2)(5,6)/rA:21nCCNCCCCNCCCCCCCOCCOCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s17;s13;s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H30N2O2 |
All Atoms: | 51 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.36833 |
Area: | 561.488 |
Solvation: | -4.66887 |
Coulombic: | -28.9481 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 294.432 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.64 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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