ChemDB: Chemical Search
Download
Chemical ID: 3997982
Chemical ID:
3997982
Name [?]:
1-(4-imidazol-1-ylphenyl)ethanamine
SMILES [?]:
CC(c1ccc(cc1)n2ccnc2)N
InChi [?]:
InChI=1/C11H13N3/c1-9(12)10-2-4-11(5-3-10)14-7-6-13-8-14/h2-9H,12H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,8,5,7,11,10,13,2,3,6,14,12,9/E:(2,3)(4,5)/rA:14cCCCCCCCCNCCNCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;s9d12;s2;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13N3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.00584 |
Area: | 364.298 |
Solvation: | -2.1016 |
Coulombic: | -22.5467 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 187.241 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.48 |
LogP (Chemaxon): | 0.94 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|