Home Aminos Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester

Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester

CAS No.:
158576-31-9
Catalog Number:
AG001QB5
Molecular Formula:
C16H25NO2
Molecular Weight:
263.3752
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Product Description
Catalog Number:
AG001QB5
Chemical Name:
Benzoic acid, 4-(methylamino)-, 2-ethylhexyl ester
CAS Number:
158576-31-9
Molecular Formula:
C16H25NO2
Molecular Weight:
263.3752
IUPAC Name:
2-ethylhexyl 4-(methylamino)benzoate
InChI:
InChI=1S/C16H25NO2/c1-4-6-7-13(5-2)12-19-16(18)14-8-10-15(17-3)11-9-14/h8-11,13,17H,4-7,12H2,1-3H3
InChI Key:
BJNUBFKLXPUYKI-UHFFFAOYSA-N
SMILES:
CCCCC(COC(=O)c1ccc(cc1)NC)CC
Properties
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.189g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
263.381g/mol
Monoisotopic Mass:
263.189g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties