Cas no 52222-35-2 (Benzoic acid, 3-amino-, octyl ester)
52222-35-2 structure
Product Name:Benzoic acid, 3-amino-, octyl ester
CAS No:52222-35-2
MF:C15H23NO2
MW:249.34862446785
CID:360137
PubChem ID:12250026
Update Time:2025-04-19
Benzoic acid, 3-amino-, octyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-amino-, octyl ester
- octyl 3-aminobenzoate
- DTXSID50482377
- SCHEMBL6332448
- AKOS012754265
- 52222-35-2
-
- Inchi： 1S/C15H23NO2/c1-2-3-4-5-6-7-11-18-15(17)13-9-8-10-14(16)12-13/h8-10,12H,2-7,11,16H2,1H3
- InChI Key： RAXSNRAVDGVYCR-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C=1)N)=O)CCCCCCCC
Computed Properties
- Exact Mass: 249.17299
- Monoisotopic Mass: 249.172878976g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 231
- 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: 5
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.32
Benzoic acid, 3-amino-, octyl ester Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
-
Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
52222-35-2 (Benzoic acid, 3-amino-, octyl ester) Related Products
- 94-25-7(Butamben)
- 14309-40-1(Heptyl 4-aminobenzoate)
- 94-12-2(Propyl 4-Aminobenzoate)
- 13110-37-7(Pentyl 4-aminobenzoate)
- 26218-04-2(2-Ethylhexyl-4-aminobenzoate)
- 582-33-2(Ethyl 3-aminobenzoate)
- 152699-63-3(Dibenzyl 5-aminoisophthalate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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