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Chemical ID: 5157360
Chemical ID:
5157360
Name [?]:
ethyl 4-(2-amino-2-methyl-propyl)aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NCC(C)(C)N
InChi [?]:
InChI=1/C13H20N2O2/c1-4-17-12(16)10-5-7-11(8-6-10)15-9-13(2,3)14/h5-8,15H,4,9,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,15,16,2,7,11,8,10,13,6,9,4,14,17,12,5,3/E:(2,3)(5,6)(7,8)/rA:17nCCOCOCCCCCCNCCCCN/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H20N2O2 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.24366 |
Area: | 454.307 |
Solvation: | -2.11402 |
Coulombic: | -44.3283 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 236.31 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.13 |
LogP (Chemaxon): | 1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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