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Chemical ID: 7102510
Chemical ID:
7102510
Name [?]:
2-[(2-ethoxy-3-methoxy-phenyl)methylamino]ethanol
SMILES [?]:
CCOc1c(cccc1OC)CNCCO
InChi [?]:
InChI=1/C12H19NO3/c1-3-16-12-10(9-13-7-8-14)5-4-6-11(12)15-2/h4-6,13-14H,3,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,7,6,8,14,15,12,5,9,4,13,16,10,3/rA:16nCCOCCCCCCOCCNCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s5;s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19NO3 |
All Atoms: | 35 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.29236 |
Area: | 427.158 |
Solvation: | -5.38659 |
Coulombic: | -39.9474 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 225.284 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.81 |
LogP (Chemaxon): | 0.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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