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Chemical ID: 4293569
Chemical ID:
4293569
Name [?]:
N-butyl-6-(2,4,6-trimethylphenoxy)-hexan-1-amine
SMILES [?]:
CCCCNCCCCCCOc1c(cc(cc1C)C)C
InChi [?]:
InChI=1/C19H33NO/c1-5-6-11-20-12-9-7-8-10-13-21-19-17(3)14-16(2)15-18(19)4/h14-15,20H,5-13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,20,19,21,2,3,8,9,7,10,4,6,11,17,15,16,18,14,13,5,12/E:(3,4)(14,15)(17,18)/rA:21nCCCCNCCCCCCOCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H33NO |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5468 |
Area: | 582.088 |
Solvation: | -2.00537 |
Coulombic: | -19.1967 |
Bond Count [?]
All: | 21 |
Single: | 18 |
Double: | 3 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 291.471 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.22 |
LogP (Chemaxon): | 5.32 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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