Chemical ID: 4996574

CN(CCC(=O)OC)Cc1ccccc1
Chemical ID:
4996574
Name [?]:
methyl 3-(benzyl-methyl-amino)propanoate
SMILES [?]:
CN(CCC(=O)OC)Cc1ccccc1
InChi [?]:
InChI=1/C12H17NO2/c1-13(9-8-12(14)15-2)10-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,13,12,14,11,15,4,3,9,10,5,2,6,7/E:(4,5)(6,7)/rA:15cCNCCCOOCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s2;s9;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.94612
Area:411.1
Solvation:-2.33139
Coulombic:-24.2945
Bond Count [?]
All:15
Single:11
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:207.269
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.63
LogP (Chemaxon):1.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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