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CAS No.: | 138588-40-6 |
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Name: | 2-Amidinopyrimidine hydrochloride |
Molecular Structure: | |
Formula: | C5H6N4.HCl |
Molecular Weight: | 158.59 |
Synonyms: | 2-Pyrimidinecarboximidamide,monohydrochloride (9CI);2-Pyrimidinecarboximidamide, hydrochloride;2-Amidinopyrimidine hydrochloride; |
EINECS: | 604-087-1 |
Density: | 1.39 g/cm3 |
Melting Point: | 180-183 °C |
Boiling Point: | 313.1 °C at 760 mmHg |
Flash Point: | 143.2 °C |
Appearance: | off-white powder |
PSA: | 75.65000 |
LogP: | 1.36270 |
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The systematic name of 2-Pyrimidinecarboximidamide,hydrochloride (1:1) is pyrimidine-2-carboximidamide hydrochloride (1:1). With the CAS registry number 138588-40-6, it is also named as 2-Amidinopyrimidine hydrochloride. The product's categories are Nucleotides and Nucleosides; Pyrimidine; Bases & Related Reagents; Nucleotides. Besides, it is off-white powder. In addition, its molecular formula is C5H6N4.HCl and its molecular weight is 158.59.
The other characteristics of 2-Pyrimidinecarboximidamide,hydrochloride (1:1) can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 4; (5)ACD/KOC (pH 7.4): 4; (6)#H bond acceptors: 4; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 75.65 Å2; (10)Flash Point: 143.2 °C; (11)Melting Point: 180-183 °C; (12)Enthalpy of Vaporization: 56.52 kJ/mol; (13)Boiling Point: 313.1 °C at 760 mmHg; (14)Vapour Pressure: 0.000373 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Cl.NC(=N)c1ncccn1
(2)InChI: InChI=1/C5H6N4.ClH/c6-4(7)5-8-2-1-3-9-5;/h1-3H,(H3,6,7);1H
(3)InChIKey: LZIYBABLVXXFGZ-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C5H6N4.ClH/c6-4(7)5-8-2-1-3-9-5;/h1-3H,(H3,6,7);1H
(5)Std. InChIKey: LZIYBABLVXXFGZ-UHFFFAOYSA-N