Home Aminos Benzoic acid, 3-(ethylamino)-, ethyl ester (9CI)

Benzoic acid, 3-(ethylamino)-, ethyl ester (9CI)

CAS No.:
102362-81-2
Catalog Number:
AG009KI8
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
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Product Description
Catalog Number:
AG009KI8
Chemical Name:
Benzoic acid, 3-(ethylamino)-, ethyl ester (9CI)
CAS Number:
102362-81-2
Molecular Formula:
C11H15NO2
Molecular Weight:
193.2423
MDL Number:
MFCD11177313
IUPAC Name:
ethyl 3-(ethylamino)benzoate
InChI:
InChI=1S/C11H15NO2/c1-3-12-10-7-5-6-9(8-10)11(13)14-4-2/h5-8,12H,3-4H2,1-2H3
InChI Key:
ILUWJNMEDRWSHF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cccc(c1)NCC
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.11g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.246g/mol
Monoisotopic Mass:
193.11g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties