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Chemical ID: 5167034
Chemical ID:
5167034
Name [?]:
methyl 3-benzylaminopropanoate
SMILES [?]:
COC(=O)CCNCc1ccccc1
InChi [?]:
InChI=1/C11H15NO2/c1-14-11(13)7-8-12-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,5,6,8,9,3,7,4,2/E:(3,4)(5,6)/rA:14nCOCOCCNCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.74246 |
Area: | 400.629 |
Solvation: | -2.27327 |
Coulombic: | -27.9783 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 193.242 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.4 |
LogP (Chemaxon): | 1.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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