Chemical ID: 6771413

CCCCOc1cccc(c1)C[NH2+]CCCOCC
Chemical ID:
6771413
Name [?]:
(3-butoxyphenyl)methyl-(3-ethoxypropyl)ammonium
SMILES [?]:
CCCCOc1cccc(c1)C[NH2+]CCCOCC
InChi [?]:
InChI=1/C16H27NO2/c1-3-5-12-19-16-9-6-8-15(13-16)14-17-10-7-11-18-4-2/h6,8-9,13,17H,3-5,7,10-12,14H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,19,2,18,3,8,15,9,7,14,16,4,11,12,10,6,13,17,5/rA:19nCCCCOCCCCCCCN+CCCOCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s10;s12;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H28NO2+
All Atoms:47
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-23.8004
Area:537.196
Solvation:-37.2303
Coulombic:19.533
Bond Count [?]
All:19
Single:16
Double:3
Rotors:11
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:266.399
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:3.39
LogP (Chemaxon):2.76

Name Annotations

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Descriptor Annotations

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