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2,4,5,6-Tetraaminopyrimidine hydrochloride (39944-62-2)

Identification
Name:2,4,5,6-Tetraaminopyrimidine hydrochloride
Synonyms:Pyrimidinetetramine,hydrochloride (9CI);
CAS:39944-62-2
Molecular Formula: C4H8N6.x(HCl)
Molecular Weight: 213.07
InChI: InChI=1/C4H8N6.2ClH/c5-1-2(6)9-4(8)10-3(1)7;;/h5H2,(H6,6,7,8,9,10);2*1H
Molecular Structure: (C4H8N6.x(HCl)) Pyrimidinetetramine,hydrochloride (9CI);
Properties
Flash Point: 534.9 °C at 760 mmHg
Boiling Point: 534.9 °C at 760 mmHg
Appearance:light yellow to white crystal
Specification:

The systematic name of 2,4,5,6-Tetraaminopyrimidine dihydrochloride is Pyrimidine-2,4,5,6-tetramine dihydrochloride. With the CAS registry number 39944-62-2, it is also named as Pyrimidinetetramine,hydrochloride (9CI). The product's categories are Organic Intermediates; Pyrimidines. Besides, it is light yellow to white crystal. In addition, its molecular formula is C4H10Cl2N6 and molecular weight is 213.07.

The other characteristics of 2,4,5,6-Tetraaminopyrimidine dihydrochloride can be summarized as: (1)# of Rule of 5 Violations: 1; (2)H bond acceptors: 6; (3)H bond donors: 8; (4)Freely Rotating Bonds: 1; (5)Nominal mass: 212; (6)Average mass: 213.0684; (7)Monoisotopic mass: 212.0344; (8)Polar Surface Area: 129.86 Å2; (9)Flash Point: 277.3 °C; (10)Enthalpy of Vaporization: 82.65 kJ/mol; (11)Boiling Point: 534.9 °C at 760 mmHg; (12)Vapour Pressure: 8.68E-12 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cl.Cl.Nc1c(N)nc(N)nc1N
(2)InChI:InChI=1/C4H8N6.2ClH/c5-1-2(6)9-4(8)10-3(1)7;;/h5H2,(H6,6,7,8,9,10);2*1H
(3)InChIKey:BKYYVSKCYPCEAU-UHFFFAOYAK
(4)Std. InChI:InChI=1S/C4H8N6.2ClH/c5-1-2(6)9-4(8)10-3(1)7;;/h5H2,(H6,6,7,8,9,10);2*1H
(5)Std. InChIKey:BKYYVSKCYPCEAU-UHFFFAOYSA-N

Flash Point: 534.9 °C at 760 mmHg
Safety Data
 

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