Cas no 75681-69-5 (Benzoic acid,4-(nonylamino)-, ethyl ester)
75681-69-5 structure
Product Name:Benzoic acid,4-(nonylamino)-, ethyl ester
CAS No:75681-69-5
MF:C18H29NO2
MW:291.428365468979
CID:573811
PubChem ID:283544
Update Time:2025-04-19
Benzoic acid,4-(nonylamino)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(nonylamino)-, ethyl ester
- ethyl 4-(nonylamino)benzoate
- AC1L5YV7
- AC1Q64JQ
- AG-J-97990
- AR-1I8995
- CTK5E1874
- NSC138405
- NSC-138405
- DTXSID70300701
- 75681-69-5
-
- 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： O(CC)C(C1C=CC(=CC=1)NCCCCCCCCC)=O
Computed Properties
- Exact Mass: 291.21997
- Monoisotopic Mass: 291.22
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 12
- Complexity: 260
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.6
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- Density: 0.986
- Boiling Point: 410.3°C at 760 mmHg
- Flash Point: 202°C
- Refractive Index: 1.516
- PSA: 38.33
- LogP: 5.09880
Benzoic acid,4-(nonylamino)-, ethyl ester Related Literature
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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3. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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