Chemical ID: 6919924

CC(c1cccc(c1)OC(=O)NC)N(C)C
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

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