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Chemical ID: 7432300
Chemical ID:
7432300
Name [?]:
1-(4-morpholinophenyl)ethanamine
SMILES [?]:
CC(c1ccc(cc1)N2CCOCC2)N
InChi [?]:
InChI=1/C12H18N2O/c1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14/h2-5,10H,6-9,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,5,7,10,14,11,13,2,3,6,15,9,12/E:(2,3)(4,5)(6,7)(8,9)/rA:15cCCCCCCCCNCCOCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s9s13;s2;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O |
All Atoms: | 33 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.79549 |
Area: | 382.982 |
Solvation: | -2.77906 |
Coulombic: | -27.5089 |
Bond Count [?]
All: | 16 |
Single: | 13 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.284 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.48 |
LogP (Chemaxon): | 1.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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