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Chemical ID: 5021372
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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