Chemical ID: 4731830

CC(C)Nc1ccc(cc1N)C(=O)OC
Chemical ID:
4731830
Name [?]:
methyl 3-amino-4-isopropylamino-benzoate
SMILES [?]:
CC(C)Nc1ccc(cc1N)C(=O)OC
InChi [?]:
InChI=1/C11H16N2O2/c1-7(2)13-10-5-4-8(6-9(10)12)11(14)15-3/h4-7,13H,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,15,7,6,9,2,8,10,5,12,11,4,13,14/E:(1,2)/rA:15nCCCNCCCCCCNCOOC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;s8;d12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.06657
Area:401.393
Solvation:-1.96827
Coulombic:-48.0381
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:208.257
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:1.67
LogP (Chemaxon):1.14

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