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1154-25-2

Basic Information
CAS No.: 1154-25-2
Name: EIPA
Molecular Structure:
Molecular Structure of 1154-25-2 (EIPA)
Formula: C11H18 Cl N7 O
Molecular Weight: 299.763
Synonyms: AMILORIDE, 5-(N-ETHYL-N-ISOPROPYL)-;5-(N-ETHYL-N-ISOPROPYL)AMILORIDE;3-AMINO-N-(AMINOIMINOMETHYL)-6-CHLORO-5-[ETHYL(2-PROPYL)AMINO]-PYRAZINE-2-CARBOXAMIDE;EIPA;ethylisopropylamiloride;3-Amino-N-(aminoiminomethyl)-6-chloro-5-[ethyl(1-methylethyl)amino]-2-pyrazinecarboxamide;L 593754;MH 12-43
Density: 1.49 g/cm3
Melting Point: 202-205 °C(lit.)
Boiling Point: 543.9 °C at 760 mmHg
Flash Point: 282.8 °C
Appearance: Off-white to yellow solid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 134.01000
LogP: 2.34230
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Specification

The 2-Pyrazinecarboxamide,3-amino-N-(aminoiminomethyl)-6-chloro-5-[ethyl(1-methylethyl)amino]-, with the CAS registry number 1154-25-2, is also known as Ethylisopropylamiloride. It belongs to the product categories of All Inhibitors; Bases & Related Reagents; Inhibitors; Intermediates & Fine Chemicals;Nucleotides; Pharmaceuticals. This chemical's molecular formula is C11H18ClN7O and molecular weight is 299.76. What's more, its systematic name is 3-amino-6-chloro-N-(diaminomethylidene)-5-[ethyl(propan-2-yl)amino]pyrazine-2-carboxamide.

Physical properties of 2-Pyrazinecarboxamide,3-amino-N-(aminoiminomethyl)-6-chloro-5-[ethyl(1-methylethyl)amino]- are: (1)ACD/LogP: 4.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.03; (4)ACD/LogD (pH 7.4): 4.03; (5)ACD/BCF (pH 5.5): 675.95; (6)ACD/BCF (pH 7.4): 676.37; (7)ACD/KOC (pH 5.5): 3691.3; (8)ACD/KOC (pH 7.4): 3693.58; (9)#H bond acceptors: 8; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 68.17 Å2; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 74.44 cm3; (15)Molar Volume: 200.5 cm3; (16)Polarizability: 29.51×10-24 cm3; (17)Surface Tension: 57 dyne/cm; (18)Density: 1.49 g/cm3; (19)Flash Point: 282.8 °C; (20)Enthalpy of Vaporization: 82.24 kJ/mol; (21)Boiling Point: 543.9 °C at 760 mmHg; (22)Vapour Pressure: 6.83×10-12 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(/N=C(\N)N)c1nc(Cl)c(nc1N)N(CC)C(C)C
(2)InChI: InChI=1/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
(3)InChIKey: QDERNBXNXJCIQK-UHFFFAOYAX