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Chemical ID: 6049454
Chemical ID:
6049454
Name [?]:
tert-butyl pyrrolidin-3-ylmethylaminoformate
SMILES [?]:
CC(C)(C)OC(=O)NCC1CCNC1
InChi [?]:
InChI=1/C10H20N2O2/c1-10(2,3)14-9(13)12-7-8-4-5-11-6-8/h8,11H,4-7H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,11,12,14,9,10,6,2,13,8,7,5/E:(1,2,3)/rA:14cCCCCOCONCCCCNC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H20N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.09719 |
Area: | 390.784 |
Solvation: | -1.6724 |
Coulombic: | -42.4168 |
Bond Count [?]
All: | 14 |
Single: | 13 |
Double: | 1 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 200.278 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.18 |
LogP (Chemaxon): | -0.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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