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Chemical ID: 5188462
Chemical ID:
5188462
Name [?]:
2,6-diethyl-4-methyl-aniline
SMILES [?]:
CCc1cc(cc(c1N)CC)C
InChi [?]:
InChI=1/C11H17N/c1-4-9-6-8(3)7-10(5-2)11(9)12/h6-7H,4-5,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,11,12,2,10,4,6,5,3,7,8,9/E:(1,2)(4,5)(6,7)(9,10)/rA:12nCCCCCCCCNCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s7;s10;s5;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.85766 |
Area: | 343.582 |
Solvation: | -0.731885 |
Coulombic: | -18.0942 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 163.259 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 3.02 |
LogP (Chemaxon): | 3.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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