Cas no 55791-74-7 (ethyl 4-(octylamino)benzoate)
ethyl 4-(octylamino)benzoate structure
Product Name:ethyl 4-(octylamino)benzoate
CAS No:55791-74-7
MF:C17H27NO2
MW:277.401785135269
CID:944502
PubChem ID:283553
Update Time:2025-04-19
ethyl 4-(octylamino)benzoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl 4-(octylamino)benzoate
- 4-octylaminobenzoic acid ethyl ester
- 4-Octylamino-benzoic acid ethyl ester
- AC1L5YVY
- AC1Q64JP
- AR-1I8997
- CHEMBL27744
- CTK5A4189
- ethyl 4-(n-octylamino)benzoate
- ethyl 4-(octylamino)-benzoate
- NSC138417
- 55791-74-7
- DTXSID10300705
- DS-001261
- NSC-138417
-
- Inchi： 1S/C17H27NO2/c1-3-5-6-7-8-9-14-18-16-12-10-15(11-13-16)17(19)20-4-2/h10-13,18H,3-9,14H2,1-2H3
- InChI Key： CYTUNEIXWQUYDZ-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC(=CC=1)NCCCCCCCC)=O
Computed Properties
- Exact Mass: 277.20431
- Monoisotopic Mass: 277.204179104g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 11
- Complexity: 247
- 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: 6.1
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
- LogP: 4.70870
ethyl 4-(octylamino)benzoate Related Literature
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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