Cas no 77314-78-4 (2-(Butylamino)isonicotinic acid)
2-(Butylamino)isonicotinic acid is a specialized organic compound featuring a pyridine core substituted with a butylamino group and a carboxylic acid functionality. This structure imparts unique reactivity, making it valuable as an intermediate in pharmaceutical and agrochemical synthesis. The butylamino moiety enhances lipophilicity, potentially improving bioavailability in drug development, while the carboxylic acid group offers versatility for further derivatization. Its well-defined molecular architecture ensures consistent performance in coupling reactions and metal coordination. The compound is typically characterized by high purity and stability under standard conditions, making it suitable for research and industrial applications requiring precise chemical modifications.
77314-78-4 structure
Product Name:2-(Butylamino)isonicotinic acid
CAS No:77314-78-4
MF:C10H14N2O2
MW:194.230362415314
MDL:MFCD11132079
CID:549410
PubChem ID:13500880
Update Time:2025-06-08
2-(Butylamino)isonicotinic acid Chemical and Physical Properties
Names and Identifiers
-
- 2-(Butylamino)isonicotinic acid
- 4-Pyridinecarboxylicacid, 2-(butylamino)-
- 4-Pyridinecarboxylicacid,2-(butylamino)-(9CI)
- AG-H-09225
- AGN-PC-00MTG4
- CTK2H5763
- MolPort-004-367-085
- 2-[N-mono(n-butyl)-amino]isonicotinic acid
- XVUXMMXRSXRTAP-UHFFFAOYSA-N
- 2-(butylamino)pyridine-4-carboxylic acid
- AKOS000214324
- CDA31478
- SB53930
- FT-0681507
- 2-(BUTYLAMINO)ISONICOTINICACID
- 77314-78-4
- SCHEMBL11344172
- DTXSID20542336
-
- MDL： MFCD11132079
- Inchi： 1S/C10H14N2O2/c1-2-3-5-11-9-7-8(10(13)14)4-6-12-9/h4,6-7H,2-3,5H2,1H3,(H,11,12)(H,13,14)
- InChI Key： XVUXMMXRSXRTAP-UHFFFAOYSA-N
- SMILES： OC(C1C=CN=C(C=1)NCCCC)=O
Computed Properties
- Exact Mass: 194.10562
- 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: 4
- Complexity: 185
- 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: 1.9
- Topological Polar Surface Area: 62.2?2
Experimental Properties
- PSA: 62.22
2-(Butylamino)isonicotinic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 052791-500mg |
2-(Butylamino)isonicotinic acid |
77314-78-4 | 500mg |
$237.00 | 2023-09-09 | ||
| Matrix Scientific | 052791-2.500g |
2-(Butylamino)isonicotinic acid |
77314-78-4 | 2.500g |
$720.00 | 2023-09-09 | ||
| Chemenu | CM371498-1g |
2-(Butylamino)isonicotinic acid |
77314-78-4 | 95%+ | 1g |
$164 | 2022-06-10 | |
| Alichem | A029205841-5g |
2-(Butylamino)isonicotinic acid |
77314-78-4 | 95% | 5g |
$514.08 | 2023-09-01 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1742409-1g |
2-(Butylamino)isonicotinic acid |
77314-78-4 | 98% | 1g |
￥1355.00 | 2024-07-28 |
2-(Butylamino)isonicotinic acid Related Literature
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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