ChemDB: Chemical Search
Download
Chemical ID: 4584216
Chemical ID:
4584216
Name [?]:
bis(3-amino-4-dimethylamino-phenyl)methanone
SMILES [?]:
CN(C)c1ccc(cc1N)C(=O)c2ccc(c(c2)N)N(C)C
InChi [?]:
InChI=1/C17H22N4O/c1-20(2)15-7-5-11(9-13(15)18)17(22)12-6-8-16(21(3)4)14(19)10-12/h5-10H,18-19H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,21,22,6,14,5,15,8,18,7,13,9,17,4,16,11,10,19,2,20,12/E:(1,2,3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(18,19)(20,21)/rA:22nCNCCCCCCCNCOCCCCCCNNCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;d14;s15;d16;d13s17;s17;s16;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H22N4O |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.34555 |
Area: | 506.783 |
Solvation: | -3.32403 |
Coulombic: | -54.3304 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 298.383 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | 1.94 |
LogP (Chemaxon): | 2.23 |
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 |
---|