Chemical ID: 7189669

CCC(C)c1ccc(cc1)C(C)[NH3+]
Chemical ID:
7189669
Name [?]:
1-(4-sec-butylphenyl)ethylammonium
SMILES [?]:
CCC(C)c1ccc(cc1)C(C)[NH3+]
InChi [?]:
InChI=1/C12H19N/c1-4-9(2)11-5-7-12(8-6-11)10(3)13/h5-10H,4,13H2,1-3H3/p+1
InChi Info:
AuxInfo=1/1/N:1,4,12,2,6,10,7,9,3,11,5,8,13/E:(5,6)(7,8)/rA:13cCCCCCCCCCCCCN+/rB:s1;s2;s3;s3;s5;d6;s7;d8;d5s9;s8;s11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H20N+
All Atoms:33
Heavy Atoms:13
Chiral Atoms:2
ZAP Information [?]
Total:-28.8631
Area:372.554
Solvation:-38.177
Coulombic:39.5796
Bond Count [?]
All:13
Single:10
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:178.294
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.64
LogP (Chemaxon):3.17

Name Annotations

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Descriptor Annotations

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