Chemical ID: 5037540

CCN(CCO)c1ccc(cc1)[N+]#N
Chemical ID:
5037540
Name [?]:
4-(ethyl-(2-hydroxyethyl)amino)benzenediazonium
SMILES [?]:
CCN(CCO)c1ccc(cc1)[N+]#N
InChi [?]:
InChI=1/C10H14N3O/c1-2-13(7-8-14)10-5-3-9(12-11)4-6-10/h3-6,14H,2,7-8H2,1H3/q+1
InChi Info:
AuxInfo=1/0/N:1,2,9,11,8,12,4,5,10,7,14,13,3,6/E:(3,4)(5,6)/CRV:12+1/rA:14cCCNCCOCCCCCCN+N/rB:s1;s2;s3;s4;s5;s3;s7;d8;s9;d10;d7s11;s10;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H14N3O+
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:-21.8309
Area:374.942
Solvation:-31.2044
Coulombic:7.55997
Bond Count [?]
All:14
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.238
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:0.33
LogP (Chemaxon):0.39

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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