Chemical ID: 7224142

CC(C)(C)[NH2+]CC(c1cc(c(c(c1)Cl)N)Cl)O
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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