Chemical ID: 6049540

CCOc1cccc(c1)C(=N)N
Chemical ID:
6049540
Name [?]:
3-ethoxybenzamidine
SMILES [?]:
CCOc1cccc(c1)C(=N)N
InChi [?]:
InChI=1/C9H12N2O/c1-2-12-8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H3,10,11)
InChi Info:
AuxInfo=1/1/N:1,2,6,7,5,9,8,4,10,11,12,3/E:(10,11)/rA:12nCCOCCCCCCCNN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;w10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2O
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.03072
Area:342.708
Solvation:-2.53699
Coulombic:-35.8909
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:164.204
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:1.97
LogP (Chemaxon):1.13

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Descriptor Annotations

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