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| CAS No.: | 83170-03-0 |
|---|---|
| Name: | 2-Amino-4-chloro-6-guanidinopyrimidine |
| Molecular Structure: | |
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| Formula: | C5H7ClN6 |
| Molecular Weight: | 186.604 |
| Synonyms: | Guanidine,(2-amino-6-chloro-4-pyrimidinyl)- (9CI);Guanidine,N-(2-amino-6-chloro-4-pyrimidinyl)-; |
| Density: | 1.899 g/cm3 |
| Boiling Point: | 424.132 °C at 760 mmHg |
| Flash Point: | 210.308 °C |
| PSA: | 113.70000 |
| LogP: | 1.47180 |
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Specification
The 2-Amino-4-chloro-6-guanidinopyrimidine, with the CAS registry number 83170-03-0, is also known as Guanidine, N-(2-amino-6-chloro-4-pyrimidinyl)-. This chemical's molecular formula is C5H7ClN6 and molecular weight is 186.60. What's more, its systematic name is 1-(2-Amino-6-chloropyrimidin-4-yl)guanidine.
Physical properties about 2-Amino-4-chloro-6-guanidinopyrimidine are: (1)ACD/LogP: 0.28; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 2; (8)#H bond acceptors: 6; (9)#H bond donors: 6; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 113.7 Å2; (12)Index of Refraction: 1.814; (13)Molar Refractivity: 42.542 cm3; (14)Molar Volume: 98.282 cm3; (15)Polarizability: 16.865×10-24 cm3; (16)Surface Tension: 89.41 dyne/cm; (17)Density: 1.899 g/cm3; (18)Flash Point: 210.308 °C; (19)Enthalpy of Vaporization: 67.857 kJ/mol; (20)Boiling Point: 424.132 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of 2-Amino-4-chloro-6-guanidinopyrimidine: this chemical is prepared by reaction of 4, 6-Dichloro-pyrimidin-2-ylamine with Guanidine. The reaction time is 1.5 hours with reaction temperature of 80 °C. The yield is about 53 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1nc(NC(N)=N)cc(Cl)n1
(2) InChI: InChI=1/C5H7ClN6/c6-2-1-3(11-4(7)8)12-5(9)10-2/h1H,(H6,7,8,9,10,11,12)
(3) InChIKey: OFNBTXIKNJCAAZ-UHFFFAOYAJ