Chemical ID: 6779684

CC[NH+](CCC[NH3+])Cc1ccccc1
Chemical ID:
6779684
Name [?]:
3-azaniumylpropyl-benzyl-ethyl-ammonium
SMILES [?]:
CC[NH+](CCC[NH3+])Cc1ccccc1
InChi [?]:
InChI=1/C12H20N2/c1-2-14(10-6-9-13)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11,13H2,1H3/p+2
InChi Info:
AuxInfo=1/1/N:1,2,12,11,13,5,10,14,6,4,8,9,7,3/E:(4,5)(7,8)/rA:14cCCN+CCCN+CCCCCCC/rB:s1;s2;s3;s4;s5;s6;s3;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22N2+2
All Atoms:36
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:-92.1961
Area:400.333
Solvation:-102.204
Coulombic:105.013
Bond Count [?]
All:14
Single:11
Double:3
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:194.317
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.78
LogP (Chemaxon):1.54

Name Annotations

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Descriptor Annotations

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