Cas no 409357-05-7 (5-Pyrimidinecarboxylicacid, hydrochloride (1:1))
409357-05-7 structure
Product Name:5-Pyrimidinecarboxylicacid, hydrochloride (1:1)
CAS No:409357-05-7
MF:C5H5ClN2O2
MW:160.558399915695
CID:324675
PubChem ID:24820330
Update Time:2025-04-19
5-Pyrimidinecarboxylicacid, hydrochloride (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarboxylicacid, hydrochloride (1:1)
- 5-PYRIMIDINECARBOXYLIC ACID MONOHYDROCHLORIDE
- pyrimidine-5-carboxylic acid,hydrochloride
- 5-pyrimidinecarboxylic acid hydrochloride
- FT-0692808
- pyrimidine-5-carboxylic acid;hydrochloride
- 409357-05-7
- SCHEMBL6741706
- DTXSID70647486
- A825356
- Pyrimidine-5-carboxylic acid--hydrogen chloride (1/1)
- pyrimidine-5-carboxylic acid hydrochloride
-
- Inchi： 1S/C5H4N2O2.ClH/c8-5(9)4-1-6-3-7-2-4;/h1-3H,(H,8,9);1H
- InChI Key： GORPEBSTZQXVFX-UHFFFAOYSA-N
- SMILES： Cl.OC(C1=CN=CN=C1)=O
Computed Properties
- Exact Mass: 160.00400
- Monoisotopic Mass: 160.004
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 110
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 63.1A^2
Experimental Properties
- Boiling Point: 334.8°C at 760 mmHg
- Flash Point: 156.3°C
- PSA: 63.08000
- LogP: 0.97680
5-Pyrimidinecarboxylicacid, hydrochloride (1:1) Related Literature
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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