Chemical ID: 5017930

CCCNC(C)CC(=O)OCC
Chemical ID:
5017930
Name [?]:
ethyl 3-propylaminobutanoate
SMILES [?]:
CCCNC(C)CC(=O)OCC
InChi [?]:
InChI=1/C9H19NO2/c1-4-6-10-8(3)7-9(11)12-5-2/h8,10H,4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,12,6,2,11,3,7,5,8,4,9,10/rA:12cCCCNCCCCOOCC/rB:s1;s2;s3;s4;s5;s5;s7;d8;s8;s10;s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H19NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:7.73454
Area:379.98
Solvation:-1.76495
Coulombic:-27.2145
Bond Count [?]
All:11
Single:10
Double:1
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:173.253
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.35
LogP (Chemaxon):1.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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