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Chemical ID: 3992058
Chemical ID:
3992058
Name [?]:
1-(1H-benzoimidazol-2-yl)ethanamine
SMILES [?]:
CC(c1[nH]c2ccccc2n1)N
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)
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: | C9H11N3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.80274 |
Area: | 325.466 |
Solvation: | -1.3339 |
Coulombic: | -29.7301 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 161.204 |
H-Bond Donors: | 2 |
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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