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Chemical ID: 7224142
Chemical ID:
7224142
Name [?]:
[2-(4-amino-3,5-dichloro-phenyl)-2-hydroxy-ethyl]-tert-butyl-ammonium
SMILES [?]:
CC(C)(C)[NH2+]CC(c1cc(c(c(c1)Cl)N)Cl)O
InChi [?]:
InChI=1/C12H18Cl2N2O/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7/h4-5,10,16-17H,6,15H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,4,9,13,6,8,10,12,7,11,2,16,14,15,5,17/E:(1,2,3)(4,5)(8,9)(13,14)/rA:17cCCCCN+CCCCCCCCClNClO/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s11;s10;s7;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H19Cl2N2O+ |
All Atoms: | 36 |
Heavy Atoms: | 17 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -23.2818 |
Area: | 470.122 |
Solvation: | -35.0349 |
Coulombic: | 2.07707 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.66 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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