Cas no 72299-54-8 (Benzeneundecanoic acid, 4-amino-)
72299-54-8 structure
Product Name:Benzeneundecanoic acid, 4-amino-
CAS No:72299-54-8
MF:C17H27NO2
MW:277.401785135269
CID:544183
PubChem ID:14525844
Update Time:2025-04-19
Benzeneundecanoic acid, 4-amino- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneundecanoic acid, 4-amino-
- 11-(4-aminophenyl)undecanoic acid
- DTXSID20561269
- SCHEMBL4423281
- 72299-54-8
-
- Inchi： 1S/C17H27NO2/c18-16-13-11-15(12-14-16)9-7-5-3-1-2-4-6-8-10-17(19)20/h11-14H,1-10,18H2,(H,19,20)
- InChI Key： ANMBMJCKQHHRHP-UHFFFAOYSA-N
- SMILES： OC(CCCCCCCCCCC1C=CC(=CC=1)N)=O
Computed Properties
- Exact Mass: 277.20431
- Monoisotopic Mass: 277.204179104g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- 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: 5
- Topological Polar Surface Area: 63.3?2
Experimental Properties
- PSA: 63.32
Benzeneundecanoic acid, 4-amino- Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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