Chemical ID: 7121852

CC(C)CCOc1ccc(cc1)C[NH3+]
Chemical ID:
7121852
Name [?]:
(4-isopentyloxyphenyl)methylammonium
SMILES [?]:
CC(C)CCOc1ccc(cc1)C[NH3+]
InChi [?]:
InChI=1/C12H19NO/c1-10(2)7-8-14-12-5-3-11(9-13)4-6-12/h3-6,10H,7-9,13H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,9,11,8,12,4,5,13,2,10,7,14,6/E:(1,2)(3,4)(5,6)/rA:14nCCCCCOCCCCCCCN+/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s10;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20NO+
All Atoms:34
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-31.652
Area:398.636
Solvation:-41.6179
Coulombic:34.4552
Bond Count [?]
All:14
Single:11
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:194.293
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.92
LogP (Chemaxon):2.45

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Descriptor Annotations

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