Cas no 4166-52-3 (2-(diethylcarbamoyl)benzoic acid)
4166-52-3 structure
Product Name:2-(diethylcarbamoyl)benzoic acid
CAS No:4166-52-3
MF:C12H15NO3
MW:221.252403497696
CID:927245
PubChem ID:231358
Update Time:2025-04-19
2-(diethylcarbamoyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(diethylcarbamoyl)benzoic acid
- 2-((Diethylamino)carbonyl)benzoic acid
- AC1L5LIP
- AC1Q5U66
- AR-1C9033
- CTK4I5098
- N,N-Diaethyl-phthalamidsaeure
- N,N-diaethylphthalamidsaure
- N,N-diethyl 2-carboxybenzamide
- N,N-diethyl-phthalamic acid
- N,N-Diethylphthalamic acid
- N,N-Diethylphthalamidsaeure
- NSC27432
- Oprea1_293179
- SureCN1827691
- DTXSID90282696
- 4166-52-3
- NSC-27432
- SCHEMBL1827691
- AKOS000134446
-
- Inchi： 1S/C12H15NO3/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12(15)16/h5-8H,3-4H2,1-2H3,(H,15,16)
- InChI Key： JTRKMJYNFCVDEH-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1C(=O)O)N(CC)CC
Computed Properties
- Exact Mass: 221.10525
- Monoisotopic Mass: 221.10519334g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 261
- 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: 1.4
- Topological Polar Surface Area: 57.6?2
Experimental Properties
- PSA: 57.61
2-(diethylcarbamoyl)benzoic acid Related Literature
-
Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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