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Chemical ID: 4727908
Chemical ID:
4727908
Name [?]:
4-(dimethylaminomethyl)-2,6-dimethyl-phenol
SMILES [?]:
Cc1cc(cc(c1O)C)CN(C)C
InChi [?]:
InChI=1/C11H17NO/c1-8-5-10(7-12(3)4)6-9(2)11(8)13/h5-6,13H,7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,12,13,3,5,10,2,6,4,7,11,8/E:(1,2)(3,4)(5,6)(8,9)/rA:13nCCCCCCCOCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.08113 |
Area: | 360.16 |
Solvation: | -1.92287 |
Coulombic: | -21.7318 |
Bond Count [?]
All: | 13 |
Single: | 10 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 179.259 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.82 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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