Chemical ID: 5021372

CCN(CC)CCC(=O)OCC
Chemical ID:
5021372
Name [?]:
ethyl 3-diethylaminopropanoate
SMILES [?]:
CCN(CC)CCC(=O)OCC
InChi [?]:
InChI=1/C9H19NO2/c1-4-10(5-2)8-7-9(11)12-6-3/h4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,5,12,2,4,11,7,6,8,3,9,10/E:(1,2)(4,5)/rA:12nCCNCCCCCOOCC/rB:s1;s2;s3;s4;s3;s6;s7;d8;s8;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H19NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.81522
Area:381.555
Solvation:-1.72365
Coulombic:-23.2109
Bond Count [?]
All:11
Single:10
Double:1
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:173.253
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.19
LogP (Chemaxon):0.94

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Experimental Annotations

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Descriptor Annotations

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