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Chemical ID: 7117435
Chemical ID:
7117435
Name [?]:
2-(4-isobutylpiperazin-1-yl)ethanol
SMILES [?]:
CC(C)CN1CCN(CC1)CCO
InChi [?]:
InChI=1/C10H22N2O/c1-10(2)9-12-5-3-11(4-6-12)7-8-13/h10,13H,3-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,9,6,10,11,12,4,2,8,5,13/E:(1,2)(3,4)(5,6)/rA:13nCCCCNCCNCCCCO/rB:s1;s2;s2;s4;s5;s6;s7;s8;s5s9;s8;s11;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H22N2O |
All Atoms: | 35 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.59819 |
Area: | 377.332 |
Solvation: | -2.8351 |
Coulombic: | -25.9913 |
Bond Count [?]
All: | 13 |
Single: | 13 |
Double: | 0 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 186.295 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.08 |
LogP (Chemaxon): | 0.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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