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Chemical ID: 5012333
Chemical ID:
5012333
Name [?]:
2,6-bis(cyclohexylaminomethyl)-4-tert-butyl-phenol
SMILES [?]:
CC(C)(C)c1cc(c(c(c1)CNC2CCCCC2)O)CNC3CCCCC3
InChi [?]:
InChI=1/C24H40N2O/c1-24(2,3)20-14-18(16-25-21-10-6-4-7-11-21)23(27)19(15-20)17-26-22-12-8-5-9-13-22/h14-15,21-22,25-27H,4-13,16-17H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,25,15,17,24,26,14,18,23,27,10,6,11,20,9,7,5,13,22,8,2,12,21,19/E:(1,2,3)(4,5)(6,7,8,9)(10,11,12,13)(14,15)(16,17)(18,19)(21,22)(25,26)/rA:27nCCCCCCCCCCCNCCCCCCOCNCCCCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;s12;s13;s14;s15;s16;s13s17;s8;s7;s20;s21;s22;s23;s24;s25;s22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H40N2O |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2847 |
Area: | 631.901 |
Solvation: | -2.51286 |
Coulombic: | -36.3706 |
Bond Count [?]
All: | 29 |
Single: | 26 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 372.587 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 6.11 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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