Cas no 371958-90-6 (Benzoic acid,4-[(2-methylpropyl)amino]-)
![Benzoic acid,4-[(2-methylpropyl)amino]- structure](https://ossimg.kuujia.com/scimg/372000/371958-90-6x500.png)
371958-90-6 structure
Product Name:Benzoic acid,4-[(2-methylpropyl)amino]-
CAS No:371958-90-6
MF:C11H15NO2
MW:193.242303133011
CID:297821
PubChem ID:9899081
Update Time:2025-04-19
Benzoic acid,4-[(2-methylpropyl)amino]- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-[(2-methylpropyl)amino]-
- 4-Isobutylaminobenzoicacid
- 4-(ISOBUTYLAMINO)BENZOIC ACID
- 371958-90-6
- AKOS000125444
- Oprea1_008313
- SCHEMBL1530913
-
- Inchi： 1S/C11H15NO2/c1-8(2)7-12-10-5-3-9(4-6-10)11(13)14/h3-6,8,12H,7H2,1-2H3,(H,13,14)
- InChI Key： BAOWWXBKKKHWAY-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=CC=1)NCC(C)C)=O
Computed Properties
- Exact Mass: 193.11035
- Monoisotopic Mass: 193.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 184
- 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: 2.8
- Topological Polar Surface Area: 49.3?2
Experimental Properties
- PSA: 49.33
Benzoic acid,4-[(2-methylpropyl)amino]- Related Literature
-
Kenta Rakumitsu,Miho Fujii,Sotaro Kusumoto,Shoko Kikkawa,Isao Azumaya,Akihiro Yokoyama RSC Adv. 2022 12 26411
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