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Chemical ID: 4966926
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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