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CAS No.: | 54187-04-1 |
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Name: | Rilmenidine |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H16N2O |
Molecular Weight: | 180.25 |
Synonyms: | NSC 664312;Oxaminozoline;Rilmenidene;S 3341; |
EINECS: | 259-021-0 |
Density: | 1.455 g/cm3 |
Melting Point: | 106 - 107oC |
Boiling Point: | 355.469 °C at 760 mmHg |
Flash Point: | 168.782 °C |
Solubility: | 7.3 mg/mL in water |
Appearance: | solid |
Safety: | 22-24/25 |
PSA: | 33.62000 |
LogP: | 0.97730 |
The Rilmenidine, with the CAS registry number 54187-04-1, is also known as Oxaminozoline. It belongs to the product categories of Antihypertensive; Imidazoline binding site. Its EINECS number is 259-021-0. This chemical's molecular formula is C10H16N2O and molecular weight is 180.25. What's more, its systematic name is N-(Dicyclopropylmethyl)-4,5-dihydro-1,3-oxazol-2-amine. Its classification codes are: (1)Adrenergic Agents; (2)Adrenergic Agonists; (3)Adrenergic alpha-agonists; (4)Antihypertensive agents; (5)Cardiovascular Agents; (6)Mutation data; (7)Neurotransmitter Agents. You should not breathe dust. When using it, you must avoid contact with skin and eyes. This chemical is a prescription medication for the treatment of hypertension.
Physical properties of Rilmenidine are: (1)ACD/LogP: 1.479; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.37; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 2.00; (7)ACD/KOC (pH 5.5): 2.14; (8)ACD/KOC (pH 7.4): 38.83; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 33.62 Å2; (13)Index of Refraction: 1.711; (14)Molar Refractivity: 48.478 cm3; (15)Molar Volume: 123.874 cm3; (16)Polarizability: 19.218×10-24cm3; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.455 g/cm3; (19)Flash Point: 168.782 °C; (20)Enthalpy of Vaporization: 60.062 kJ/mol; (21)Boiling Point: 355.469 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C(\OCC/1)NC(C2CC2)C3CC3
(2)Std. InChI: InChI=1S/C10H16N2O/c1-2-7(1)9(8-3-4-8)12-10-11-5-6-13-10/h7-9H,1-6H2,(H,11,12)
(3)Std. InChIKey: CQXADFVORZEARL-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 24mg/kg (24mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#09228, |