Cas no 1785026-85-8 (5-(2-Methylpropyl)pyrimidine-2-carboxylic acid)
1785026-85-8 structure
Product Name:5-(2-Methylpropyl)pyrimidine-2-carboxylic acid
CAS No:1785026-85-8
MF:C9H12N2O2
MW:180.203782081604
CID:5713444
PubChem ID:84732267
Update Time:2023-10-15
5-(2-Methylpropyl)pyrimidine-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- EN300-736895
- 5-(2-Methylpropyl)pyrimidine-2-carboxylicacid
- 5-(2-Methylpropyl)pyrimidine-2-carboxylic acid
- 1785026-85-8
- 2-Pyrimidinecarboxylic acid, 5-(2-methylpropyl)-
-
- Inchi： 1S/C9H12N2O2/c1-6(2)3-7-4-10-8(9(12)13)11-5-7/h4-6H,3H2,1-2H3,(H,12,13)
- InChI Key： MKCKCXYWYNHCHY-UHFFFAOYSA-N
- SMILES： OC(C1=NC=C(C=N1)CC(C)C)=O
Computed Properties
- Exact Mass: 180.089877630g/mol
- Monoisotopic Mass: 180.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 175
- 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: 1.7
- Topological Polar Surface Area: 63.1?2
Experimental Properties
- Density: 1.165±0.06 g/cm3(Predicted)
- Boiling Point: 362.0±35.0 °C(Predicted)
- pka: 3.20±0.10(Predicted)
5-(2-Methylpropyl)pyrimidine-2-carboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-736895-0.05g |
5-(2-methylpropyl)pyrimidine-2-carboxylic acid |
1785026-85-8 | 95.0% | 0.05g |
$1008.0 | 2025-03-11 | |
| Enamine | EN300-736895-0.1g |
5-(2-methylpropyl)pyrimidine-2-carboxylic acid |
1785026-85-8 | 95.0% | 0.1g |
$1056.0 | 2025-03-11 | |
| Enamine | EN300-736895-0.25g |
5-(2-methylpropyl)pyrimidine-2-carboxylic acid |
1785026-85-8 | 95.0% | 0.25g |
$1104.0 | 2025-03-11 | |
| Enamine | EN300-736895-0.5g |
5-(2-methylpropyl)pyrimidine-2-carboxylic acid |
1785026-85-8 | 95.0% | 0.5g |
$1152.0 | 2025-03-11 | |
| Enamine | EN300-736895-1.0g |
5-(2-methylpropyl)pyrimidine-2-carboxylic acid |
1785026-85-8 | 95.0% | 1.0g |
$1200.0 | 2025-03-11 | |
| Enamine | EN300-736895-2.5g |
5-(2-methylpropyl)pyrimidine-2-carboxylic acid |
1785026-85-8 | 95.0% | 2.5g |
$2351.0 | 2025-03-11 | |
| Enamine | EN300-736895-5.0g |
5-(2-methylpropyl)pyrimidine-2-carboxylic acid |
1785026-85-8 | 95.0% | 5.0g |
$3479.0 | 2025-03-11 | |
| Enamine | EN300-736895-10.0g |
5-(2-methylpropyl)pyrimidine-2-carboxylic acid |
1785026-85-8 | 95.0% | 10.0g |
$5159.0 | 2025-03-11 |
5-(2-Methylpropyl)pyrimidine-2-carboxylic acid Related Literature
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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