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Chemical ID: 6048048
Chemical ID:
6048048
Name [?]:
tert-butyl 2-(3-pyridyl)ethylaminoformate
SMILES [?]:
CC(C)(C)OC(=O)NCCc1cccnc1
InChi [?]:
InChI=1/C12H18N2O2/c1-12(2,3)16-11(15)14-8-6-10-5-4-7-13-9-10/h4-5,7,9H,6,8H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,12,10,14,9,16,11,6,2,15,8,7,5/E:(1,2,3)/rA:16nCCCCOCONCCCCCCNC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49106 |
Area: | 428.151 |
Solvation: | -2.21271 |
Coulombic: | -38.5297 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 222.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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