ChemDB: Chemical Search
Download
Chemical ID: 5254415
Chemical ID:
5254415
Name [?]:
N-(4-dimethylaminophenyl)formamide
SMILES [?]:
CN(C)c1ccc(cc1)NC=O
InChi [?]:
InChI=1/C9H12N2O/c1-11(2)9-5-3-8(4-6-9)10-7-12/h3-7H,1-2H3,(H,10,12)
InChi Info:
AuxInfo=1/1/N:1,3,6,8,5,9,11,7,4,10,2,12/E:(1,2)(3,4)(5,6)/rA:12nCNCCCCCCCNCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12N2O |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.67088 |
Area: | 334.276 |
Solvation: | -2.68601 |
Coulombic: | -24.9207 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 164.204 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.25 |
LogP (Chemaxon): | 1.54 |
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 |
---|