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132666-33-2 | Benzoic acid, 4-[(1-methylhexyl)amino]-, ethyl ester
CAS No: 132666-33-2 Catalog No: AG0010Z1 MDL No:MFCD09263652
Product Description
Catalog Number:
AG0010Z1
Chemical Name:
Benzoic acid, 4-[(1-methylhexyl)amino]-, ethyl ester
CAS Number:
132666-33-2
Molecular Formula:
C16H25NO2
Molecular Weight:
263.3752
MDL Number:
MFCD09263652
IUPAC Name:
ethyl 4-(heptan-2-ylamino)benzoate
InChI:
InChI=1S/C16H25NO2/c1-4-6-7-8-13(3)17-15-11-9-14(10-12-15)16(18)19-5-2/h9-13,17H,4-8H2,1-3H3
InChI Key:
VHJRKVFOFWAVRF-UHFFFAOYSA-N
SMILES:
CCCCCC(Nc1ccc(cc1)C(=O)OCC)C
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
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