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Chemical ID: 6049540
Chemical ID:
6049540
Name [?]:
3-ethoxybenzamidine
SMILES [?]:
CCOc1cccc(c1)C(=N)N
InChi [?]:
InChI=1/C9H12N2O/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H3,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,9,8,4,10,11,12,3/E:(10,11)/rA:12nCCOCCCCCCCNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;w10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.03072 |
Area: | 342.708 |
Solvation: | -2.53699 |
Coulombic: | -35.8909 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.204 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.97 |
LogP (Chemaxon): | 1.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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