Chemical ID: 7236627

CC(C)(C)[NH2+]CC(c1cc(cc(c1)O)O)O
Chemical ID:
7236627
Name [?]:
[2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]-tert-butyl-ammonium
SMILES [?]:
CC(C)(C)[NH2+]CC(c1cc(cc(c1)O)O)O
InChi [?]:
InChI=1/C12H19NO3/c1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8/h4-6,11,13-16H,7H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,4,9,13,11,6,8,10,12,7,2,5,15,14,16/E:(1,2,3)(4,5)(9,10)(14,15)/rA:16cCCCCN+CCCCCCCCOOO/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s10;s7;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20NO3+
All Atoms:36
Heavy Atoms:16
Chiral Atoms:None
ZAP Information [?]
Total:-26.1911
Area:423.595
Solvation:-36.781
Coulombic:-11.3058
Bond Count [?]
All:16
Single:13
Double:3
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.42
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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