Cas no 92726-05-1 ( )
structure
Product Name:
CAS No:92726-05-1
MF:C15H23NO2
MW:249.34862446785
CID:998858
PubChem ID:296063
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 4-(dibutylamino)benzoic acid
- CS-0116781
- 92726-05-1
- Benzoic acid, 4-(dibutylamino)-
- AKOS009256932
- SCHEMBL472266
- DTXSID50918989
- 5171-80-2
- NSC-165845
- NSC165845
- p-dibutylaminobenzoic acid
- ZA4TSP8TWK
- HSVJMWXLGNHXNV-UHFFFAOYSA-N
-
-
- Inchi: 1S/C15H23NO2/c1-3-5-11-16(12-6-4-2)14-9-7-13(8-10-14)15(17)18/h7-10H,3-6,11-12H2,1-2H3,(H,17,18)
- InChI Key: HSVJMWXLGNHXNV-UHFFFAOYSA-N
- SMILES: OC(C1C=CC(=CC=1)N(CCCC)CCCC)=O
Computed Properties
- Exact Mass: 249.172878976g/mol
- 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: 8
- Complexity: 227
- 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: 4.1
- Topological Polar Surface Area: 40.5?2
Related Literature
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
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
-
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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