Chemical ID: 4953761

CN(CCO)c1ccc(cc1)[N+]#N
Chemical ID:
4953761
Name [?]:
4-(2-hydroxyethyl-methyl-amino)benzenediazonium
SMILES [?]:
CN(CCO)c1ccc(cc1)[N+]#N
InChi [?]:
InChI=1/C9H12N3O/c1-12(6-7-13)9-4-2-8(11-10)3-5-9/h2-5,13H,6-7H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,8,10,7,11,3,4,9,6,13,12,2,5/E:(2,3)(4,5)/CRV:11+1/rA:13cCNCCOCCCCCCN+N/rB:s1;s2;s3;s4;s2;s6;d7;s8;d9;d6s10;s9;t12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N3O+
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:-22.5054
Area:352.616
Solvation:-31.3208
Coulombic:7.75707
Bond Count [?]
All:13
Single:9
Double:3
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:178.211
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.1
LogP (Chemaxon):0.05

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