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Chemical ID: 6048455
Chemical ID:
6048455
Name [?]:
benzyl (3-amino-2,2-dimethyl-propyl)aminoformate
SMILES [?]:
CC(C)(CN)CNC(=O)OCc1ccccc1
InChi [?]:
InChI=1/C13H20N2O2/c1-13(2,9-14)10-15-12(16)17-8-11-6-4-3-5-7-11/h3-7H,8-10,14H2,1-2H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,15,14,16,13,17,11,4,6,12,8,2,5,7,9,10/E:(1,2)(4,5)(6,7)/rA:17nCCCCNCNCOOCCCCCCC/rB:s1;s2;s2;s4;s2;s6;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3383 |
Area: | 454.286 |
Solvation: | -2.01884 |
Coulombic: | -47.971 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 236.31 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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