Chemical ID: 6653426

CC(=O)NCc1ccc(cc1)N
Chemical ID:
6653426
Name [?]:
N-[(4-aminophenyl)methyl]acetamide
SMILES [?]:
CC(=O)NCc1ccc(cc1)N
InChi [?]:
InChI=1/C9H12N2O/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6,10H2,1H3,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,7,11,8,10,5,2,6,9,12,4,3/E:(2,3)(4,5)/rA:12nCCONCCCCCCCN/rB:s1;d2;s2;s4;s5;s6;d7;s8;d9;d6s10;s9;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.55209
Area:346.893
Solvation:-2.12024
Coulombic:-36.7196
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:164.204
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.6
LogP (Chemaxon):0.21

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue