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CAS No.: | 5632-81-5 |
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Name: | 2-CHLORO-3,5-DIAMINOPYRIDINE |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C5H6ClN3 |
Molecular Weight: | 143.576 |
Synonyms: | Pyridine,3,5-diamino-2-chloro- (7CI,8CI); |
Density: | 1.447g/cm3 |
Melting Point: | 101-103 °C |
Boiling Point: | 403.6 °C at 760 mmHg |
Flash Point: | 197.9 °C |
PSA: | 64.93000 |
LogP: | 2.06180 |
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The 3,5-Pyridinediamine,2-chloro-, with CAS registry number 5632-81-5, belongs to the following product categories: (1)Pharmacetical; (2)Pyridine. It has the systematic name of 2-chloropyridine-3,5-diamine. And the chemical formula of this chemical is C5H6ClN3.
Physical properties of 3,5-Pyridinediamine,2-chloro-: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.55; (4)ACD/LogD (pH 7.4): 0.55; (5)ACD/BCF (pH 5.5): 1.54; (6)ACD/BCF (pH 7.4): 1.54; (7)ACD/KOC (pH 5.5): 47.39; (8)ACD/KOC (pH 7.4): 47.45; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 64.93 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 37.71 cm3; (15)Molar Volume: 99.1 cm3; (16)Polarizability: 14.94×10-24cm3; (17)Surface Tension: 72 dyne/cm; (18)Density: 1.447 g/cm3; (19)Flash Point: 197.9 °C; (20)Enthalpy of Vaporization: 65.5 kJ/mol; (21)Boiling Point: 403.6 °C at 760 mmHg; (22)Vapour Pressure: 1E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Nc1cnc(Cl)c(N)c1
(2)InChI: InChI=1/C5H6ClN3/c6-5-4(8)1-3(7)2-9-5/h1-2H,7-8H2
(3)InChIKey: XNABPUPJEZQSCB-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C5H6ClN3/c6-5-4(8)1-3(7)2-9-5/h1-2H,7-8H2
(5)Std. InChIKey: XNABPUPJEZQSCB-UHFFFAOYSA-N