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Chemical ID: 6919924
Chemical ID:
6919924
Name [?]:
[3-(1-dimethylaminoethyl)phenyl] methylaminoformate
SMILES [?]:
CC(c1cccc(c1)OC(=O)NC)N(C)C
InChi [?]:
InChI=1/C12H18N2O2/c1-9(14(3)4)10-6-5-7-11(8-10)16-12(15)13-2/h5-9H,1-4H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,13,15,16,5,4,6,8,2,3,7,10,12,14,11,9/E:(3,4)/rA:16cCCCCCCCCOCONCNCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s10;s12;s2;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H18N2O2 |
All Atoms: | 34 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.65479 |
Area: | 417.688 |
Solvation: | -1.78743 |
Coulombic: | -39.2973 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 222.284 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 1.72 |
LogP (Chemaxon): | 1.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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