Chemical ID: 4966926

CCCCN(CCCC)CCCC(=O)OC
Chemical ID:
4966926
Name [?]:
methyl 4-dibutylaminobutanoate
SMILES [?]:
CCCCN(CCCC)CCCC(=O)OC
InChi [?]:
InChI=1/C13H27NO2/c1-4-6-10-14(11-7-5-2)12-8-9-13(15)16-3/h4-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,16,2,8,3,7,11,12,4,6,10,13,5,14,15/E:(1,2)(4,5)(6,7)(10,11)/rA:16nCCCCNCCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s7;s8;s5;s10;s11;s12;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H27NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:10.0465
Area:488.763
Solvation:-2.1726
Coulombic:-24.0113
Bond Count [?]
All:15
Single:14
Double:1
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:229.359
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.98
LogP (Chemaxon):2.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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