Chemical ID: 5151828

CC(C)(C)OC(=O)CCN1CC1
Chemical ID:
5151828
Name [?]:
tert-butyl 3-aziridin-1-ylpropanoate
SMILES [?]:
CC(C)(C)OC(=O)CCN1CC1
InChi [?]:
InChI=1/C9H17NO2/c1-9(2,3)12-8(11)4-5-10-6-7-10/h4-7H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,8,9,11,12,6,2,10,7,5/E:(1,2,3)(6,7)/rA:12nCCCCOCOCCNCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s10s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:7.20778
Area:358.824
Solvation:-1.76282
Coulombic:-22.9022
Bond Count [?]
All:12
Single:11
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:171.237
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.01
LogP (Chemaxon):0.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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