Cas no 55791-66-7 (Benzoic acid,4-(octadecylamino)-, ethyl ester)
55791-66-7 structure
Product Name:Benzoic acid,4-(octadecylamino)-, ethyl ester
CAS No:55791-66-7
MF:C27H47NO2
MW:417.667588472366
CID:381468
PubChem ID:283539
Update Time:2025-04-19
Benzoic acid,4-(octadecylamino)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(octadecylamino)-, ethyl ester
- 2-Butenoic acid, 4-(5-acetyl-2-hydroxy-3-methoxyphenyl)-, ethyl ester
- ACMC-20mm1h
- CTK0C5723
- ethyl-4-(5-acetyl-2-hydroxy-3-methoxyphenyl)-2-butenoate
- ethyl-4-(n-octadecylamino)benzoate
- SureCN9421941
- NSC-138400
- DTXSID70971172
- CHEMBL31892
- SCHEMBL22438952
- NSC138400
- 4-Octadecylamino-benzoic acid ethyl ester
- 55791-66-7
- ethyl 4-(octadecylamino)benzoate
-
- Inchi： 1S/C27H47NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-28-26-22-20-25(21-23-26)27(29)30-4-2/h20-23,28H,3-19,24H2,1-2H3
- InChI Key： OPXKELKVCZNZNP-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC(=CC=1)NCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 417.36091
- Monoisotopic Mass: 417.360679742g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 30
- Rotatable Bond Count: 21
- Complexity: 377
- 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: 11.5
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
- LogP: 8.60970
Benzoic acid,4-(octadecylamino)-, ethyl ester Related Literature
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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