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2609-46-3

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Basic Information
CAS No.: 2609-46-3
Name: AMILORIDE
Molecular Structure:
Molecular Structure of 2609-46-3 (AMILORIDE)
Formula: C6H8ClN7O
Molecular Weight: 229.629
Synonyms: Pyrazinecarboxamide,3,5-diamino-N-(aminoiminomethyl)-6-chloro- (9CI);Pyrazinecarboxamide, N-amidino-3,5-diamino-6-chloro-(7CI,8CI);(3,5-Diamino-6-chloropyrazinoyl)guanidine;Amiloride;Amipramidin;Guanamprazine;Hydikal;MK 870;N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide;
EINECS: 220-024-7
Density: 2.11 g/cm3
Melting Point: 240.5-241.5°
Boiling Point: 628.1 °C at 760 mmHg
Flash Point: 333.7 °C
Solubility: 659g/L(25 oC)
PSA: 156.79000
LogP: 1.27100
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Specification

The CAS register number of 2-Pyrazinecarboxamide,3,5-diamino-N-(aminoiminomethyl)-6-chloro- is 2609-46-3. It also can be called as Amipramidin and the systematic name about this chemical is 3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide. The molecular formula about this chemical is C6H8ClN7O and the molecular weight is 229.63.

Physical properties about 2-Pyrazinecarboxamide,3,5-diamino-N-(aminoiminomethyl)-6-chloro- are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 2.06; (4)ACD/LogD (pH 7.4): 2.06; (5)ACD/BCF (pH 5.5): 21.82; (6)ACD/BCF (pH 7.4): 21.83; (7)ACD/KOC (pH 5.5): 316.14; (8)ACD/KOC (pH 7.4): 316.33; (9)#H bond acceptors: 8; (10)#H bond donors: 8; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.17 Å2; (13)Index of Refraction: 1.884; (14)Molar Refractivity: 49.91 cm3; (15)Molar Volume: 108.5 cm3; (16)Polarizability: 19.78x10-24cm3; (17)Surface Tension: 112.5 dyne/cm; (18)Density: 2.11 g/cm3; (19)Flash Point: 333.7 °C; (20)Enthalpy of Vaporization: 92.95 kJ/mol; (21)Boiling Point: 628.1 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-15 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(C(=O)\N=C(/N)N)c(nc1N)N
(2)InChI: InChI=1/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
(3)InChIKey: XSDQTOBWRPYKKA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
(5)Std. InChIKey: XSDQTOBWRPYKKA-UHFFFAOYSA-N