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Chemical ID: 5871711
Chemical ID:
5871711
Name [?]:
2-(2-diethylaminoethoxy)benzaldehyde
SMILES [?]:
CCN(CC)CCOc1ccccc1C=O
InChi [?]:
InChI=1/C13H19NO2/c1-3-14(4-2)9-10-16-13-8-6-5-7-12(13)11-15/h5-8,11H,3-4,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,12,11,13,10,6,7,15,14,9,3,16,8/E:(1,2)(3,4)/rA:16nCCNCCCCOCCCCCCCO/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H19NO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.49719 |
Area: | 432.429 |
Solvation: | -3.31354 |
Coulombic: | -20.6924 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 221.296 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.33 |
LogP (Chemaxon): | 2.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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