Cas no 460044-25-1 (2-(tert-Butylamino)nicotinic acid)
2-(tert-Butylamino)nicotinic acid is a specialized organic compound featuring a nicotinic acid core substituted with a tert-butylamino group at the 2-position. This structural configuration imparts unique reactivity and functional properties, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. Its tert-butylamino moiety enhances steric and electronic effects, which can influence selectivity in coupling reactions or serve as a directing group in further derivatization. The carboxylic acid functionality allows for versatile transformations, including esterification or amidation. The compound is particularly useful in the development of bioactive molecules, where its balanced lipophilicity and hydrogen-bonding capacity contribute to optimized pharmacokinetic profiles. High purity grades ensure consistent performance in research and industrial applications.
460044-25-1 structure
Product Name:2-(tert-Butylamino)nicotinic acid
CAS No:460044-25-1
MF:C10H14N2O2
MW:194.230362415314
MDL:MFCD03119363
CID:1020709
PubChem ID:14739440
Update Time:2025-06-07
2-(tert-Butylamino)nicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(tert-Butylamino)nicotinic acid
- 3-Pyridinecarboxylicacid,2-[(1,1-dimethylethyl)amino]-(9CI)
- AG-L-56355
- AGN-PC-002DNT
- CTK7I9824
- KB-184600
- MolPort-004-366-846
- Oprea1_714916
- 2-(TERT-BUTYLAMINO)NICOTINICACID
- 460044-25-1
- SCHEMBL15635803
- SB53922
- AKOS000213602
- DTXSID50563458
- RGZQIUDTUICWNF-UHFFFAOYSA-N
- 2-(tert-butylamino)pyridine-3-carboxylic acid
-
- MDL： MFCD03119363
- Inchi： 1S/C10H14N2O2/c1-10(2,3)12-8-7(9(13)14)5-4-6-11-8/h4-6H,1-3H3,(H,11,12)(H,13,14)
- InChI Key： RGZQIUDTUICWNF-UHFFFAOYSA-N
- SMILES： OC(C1=CC=CN=C1NC(C)(C)C)=O
Computed Properties
- Exact Mass: 194.105527694g/mol
- Monoisotopic Mass: 194.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 211
- 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: 2.2
- Topological Polar Surface Area: 62.2?2
2-(tert-Butylamino)nicotinic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 052894-2.500g |
2-(tert-Butylamino)nicotinic acid |
460044-25-1 | 2.500g |
5331.0CNY | 2021-07-06 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 052894-500mg |
2-(tert-Butylamino)nicotinic acid |
460044-25-1 | 500mg |
1754.0CNY | 2021-07-06 | ||
| Chemenu | CM371390-1g |
2-(tert-Butylamino)nicotinic acid |
460044-25-1 | 95%+ | 1g |
$160 | 2022-06-11 | |
| Matrix Scientific | 052894-2.500g |
2-(tert-Butylamino)nicotinic acid |
460044-25-1 | 2.500g |
$328.00 | 2023-09-09 | ||
| Matrix Scientific | 052894-500mg |
2-(tert-Butylamino)nicotinic acid |
460044-25-1 | 500mg |
$108.00 | 2023-09-09 | ||
| Alichem | A029205990-5g |
2-(tert-Butylamino)nicotinic acid |
460044-25-1 | 95% | 5g |
$524.16 | 2023-09-01 | |
| TRC | B900513-5mg |
2-(tert-Butylamino)nicotinic Acid |
460044-25-1 | 5mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B900513-10mg |
2-(tert-Butylamino)nicotinic Acid |
460044-25-1 | 10mg |
$ 65.00 | 2022-06-06 | ||
| TRC | B900513-50mg |
2-(tert-Butylamino)nicotinic Acid |
460044-25-1 | 50mg |
$ 135.00 | 2022-06-06 | ||
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1651793-5g |
2-(Tert-butylamino)nicotinic acid |
460044-25-1 | 98% | 5g |
￥4970.00 | 2024-05-12 |
2-(tert-Butylamino)nicotinic acid Related Literature
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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