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75681-69-5 | Benzoic acid,4-(nonylamino)-, ethyl ester
CAS No: 75681-69-5 Catalog No: AG005IXI MDL No:
Product Description
Catalog Number:
AG005IXI
Chemical Name:
Benzoic acid,4-(nonylamino)-, ethyl ester
CAS Number:
75681-69-5
Molecular Formula:
C18H29NO2
Molecular Weight:
291.4284
IUPAC Name:
ethyl 4-(nonylamino)benzoate
InChI:
InChI=1S/C18H29NO2/c1-3-5-6-7-8-9-10-15-19-17-13-11-16(12-14-17)18(20)21-4-2/h11-14,19H,3-10,15H2,1-2H3
InChI Key:
GEANBWWTROCILH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCNc1ccc(cc1)C(=O)OCC
NSC Number:
138405
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.22g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.435g/mol
Monoisotopic Mass:
291.22g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
38.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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