Chemical ID: 6048455

CC(C)(CN)CNC(=O)OCc1ccccc1
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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