ChemDB: Chemical Search
Download
Chemical ID: 7020474
Chemical ID:
7020474
Name [?]:
triethyl-[[3-(triethylammoniomethyl)phenyl]methyl]ammonium
SMILES [?]:
CC[N+](CC)(CC)Cc1cccc(c1)C[N+](CC)(CC)CC
InChi [?]:
InChI=1/C20H38N2/c1-7-21(8-2,9-3)17-19-14-13-15-20(16-19)18-22(10-4,11-5)12-6/h13-16H,7-12,17-18H2,1-6H3/q+2
InChi Info:
AuxInfo=1/0/N:1,5,7,18,20,22,2,4,6,17,19,21,11,10,12,14,8,15,9,13,3,16/E:(1,2,3,4,5,6)(7,8,9,10,11,12)(14,15)(17,18)(19,20)(21,22)/CRV:21+1,22+1/rA:22nCCN+CCCCCCCCCCCCN+CCCCCC/rB:s1;s2;s3;s4;s3;s6;s3;s8;s9;d10;s11;d12;d9s13;s13;s15;s16;s17;s16;s19;s16;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H38N2+2 |
All Atoms: | 60 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -65.2113 |
Area: | 486.095 |
Solvation: | -77.3637 |
Coulombic: | 71.9734 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 306.529 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.52 |
LogP (Chemaxon): | -5.28 |
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 |
---|