Chemical ID: 6831961

CC(c1[nH]c2ccccc2n1)[NH3+]
Chemical ID:
6831961
Name [?]:
1-(1H-benzoimidazol-2-yl)ethylammonium
SMILES [?]:
CC(c1[nH]c2ccccc2n1)[NH3+]
InChi [?]:
InChI=1/C9H11N3/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h2-6H,10H2,1H3,(H,11,12)/p+1
InChi Info:
AuxInfo=1/1/N:1,7,8,6,9,2,5,10,3,12,4,11/E:(2,3)(4,5)(7,8)(11,12)/rA:12cCCCNCCCCCCNN+/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;d3s10;s2;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N3+
All Atoms:24
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:-31.3859
Area:321.889
Solvation:-39.4332
Coulombic:26.31
Bond Count [?]
All:13
Single:9
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:162.212
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:0.98
LogP (Chemaxon):1.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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