Chemical ID: 7976708

CCN(CC)CCOc1ccc(cc1)\C=N/O
Chemical ID:
7976708
Name [?]:
4-(2-diethylaminoethoxy)benzaldehyde oxime
SMILES [?]:
CCN(CC)CCOc1ccc(cc1)\C=N/O
InChi [?]:
InChI=1/C13H20N2O2/c1-3-15(4-2)9-10-17-13-7-5-12(6-8-13)11-14-16/h5-8,11,16H,3-4,9-10H2,1-2H3/b14-11-
InChi Info:
AuxInfo=1/0/N:1,5,2,4,11,13,10,14,6,7,15,12,9,16,3,17,8/E:(1,2)(3,4)(5,6)(7,8)/rA:17nCCNCCCCOCCCCCCCNO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s16;/rC:-.885,.8076,-2.038;-.9295,-.7187,-2.1346;-.0047,-1.2987,-1.1515;-.6577,-1.1869,.1596;.3645,-1.4639,1.2637;.0893,-2.7329,-1.4554;.9699,-2.936,-2.69;2.311,-2.546,-2.3878;3.0436,-2.7562,-3.5119;2.4316,-3.2576,-4.6538;3.1713,-3.4727,-5.7962;4.5384,-3.1854,-5.8052;5.1497,-2.6809,-4.6549;4.4017,-2.4638,-3.5183;5.3343,-3.4146,-7.026;4.7433,-3.7194,-8.136;3.3327,-3.6412,-8.2317;

Chemical Details

Atom Count
Formula:C13H20N2O2
All Atoms:37
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.4143
Area:451.309
Solvation:-3.86842
Coulombic:-24.9777
Bond Count [?]
All:37
Single:33
Double:4
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:236.31
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.57
LogP (Chemaxon):2.09

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Descriptor Annotations

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