Chemical ID: 5254524

CCOc1cccc(c1N)N
Chemical ID:
5254524
Name [?]:
3-ethoxybenzene-1,2-diamine
SMILES [?]:
CCOc1cccc(c1N)N
InChi [?]:
InChI=1/C8H12N2O/c1-2-11-7-5-3-4-6(9)8(7)10/h3-5H,2,9-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,7,5,8,4,9,11,10,3/rA:11nCCOCCCCCCNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s8;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H12N2O
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.70303
Area:317.107
Solvation:-2.22464
Coulombic:-41.0815
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:152.194
H-Bond Donors:4
H-Bond Acceptors:3
XLogP:0.73
LogP (Chemaxon):0.57

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