Cas no 20320-39-2 (Benzoic acid,2-[[bis(1-methylethyl)amino]carbonyl]-)
![Benzoic acid,2-[[bis(1-methylethyl)amino]carbonyl]- structure](https://ossimg.kuujia.com/scimg/20500/20320-39-2x500.png)
20320-39-2 structure
Product Name:Benzoic acid,2-[[bis(1-methylethyl)amino]carbonyl]-
CAS No:20320-39-2
MF:C14H19NO3
MW:249.305564165115
CID:289215
PubChem ID:209756
Update Time:2025-04-19
Benzoic acid,2-[[bis(1-methylethyl)amino]carbonyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-[[bis(1-methylethyl)amino]carbonyl]-
- 2-[di(propan-2-yl)carbamoyl]benzoic acid
- AE-848/32325030
- N,N-Diisopropylphthalamic acid
- 2-(diisopropylcarbamoyl)benzoic acid
- Benzoic acid, 2-[[bis(1-methylethyl)amino]carbonyl]-
- MFCD00440962
- F70680
- 20320-39-2
- DTXSID20174217
- Oprea1_531828
- SCHEMBL21891698
- BRN 2333335
- Phthalamic acid, N,N-diisopropyl-
- 2-[(diisopropylamino)carbonyl]benzoic acid
-
- Inchi： 1S/C14H19NO3/c1-9(2)15(10(3)4)13(16)11-7-5-6-8-12(11)14(17)18/h5-10H,1-4H3,(H,17,18)
- InChI Key： PZSITMBIVNJHKF-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1C(=O)O)N(C(C)C)C(C)C
Computed Properties
- Exact Mass: 249.13657
- Monoisotopic Mass: 249.13649347g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 304
- 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: 2.3
- Topological Polar Surface Area: 57.6?2
Experimental Properties
- PSA: 57.61
Benzoic acid,2-[[bis(1-methylethyl)amino]carbonyl]- Related Literature
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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