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1203-87-8

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Basic Information
CAS No.: 1203-87-8
Name: 5H-amiloride
Molecular Structure:
Molecular Structure of 1203-87-8 (5H-amiloride)
Formula: C6H7ClN6O
Molecular Weight: 214.614
Synonyms: 5H-Amiloride;
Density: 1.92 g/cm3
Boiling Point: 531.4 °C at 760 mmHg
Flash Point: 275.2 °C
PSA: 130.77000
LogP: 1.10760
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Specification

The 2-Pyrazinecarboxamide,3-amino-N-(aminoiminomethyl)-6-chloro-, with the CAS registry number 1203-87-8, is also known as 5H-Amiloride. This chemical's molecular formula is C6H7ClN6O and molecular weight is 214.61. What's more, its systematic name is 3-amino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide.

Physical properties of 2-Pyrazinecarboxamide,3-amino-N-(aminoiminomethyl)-6-chloro- are: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 0.1; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 26.77; (8)ACD/KOC (pH 7.4): 22.65; (9)#H bond acceptors: 7; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 64.93 Å2; (13)Index of Refraction: 1.805; (14)Molar Refractivity: 48 cm3; (15)Molar Volume: 111.7 cm3; (16)Polarizability: 19.02×10-24cm3; (17)Surface Tension: 92.4 dyne/cm; (18)Density: 1.92 g/cm3; (19)Flash Point: 275.2 °C; (20)Enthalpy of Vaporization: 80.69 kJ/mol; (21)Boiling Point: 531.4 °C at 760 mmHg; (22)Vapour Pressure: 2.26E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\N=C(/N)N)c1nc(Cl)cnc1N
(2)Std. InChI: InChI=1S/C6H7ClN6O/c7-2-1-11-4(8)3(12-2)5(14)13-6(9)10/h1H,(H2,8,11)(H4,9,10,13,14)
(3)Std. InChIKey: PTIMHPOSZRUADS-UHFFFAOYSA-N