CAS No.88058-88-2,Naxagolide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	88058-88-2
Name:	Naxagolide
Article Data:	2

Formula:	C₁₅H₂₁NO₂
Molecular Weight:	247.337
Synonyms:	2H-Naphth[1,2-b]-1,4-oxazin-9-ol,3,4,4a,5,6,10b-hexahydro-4-propyl-, (4aR-trans)-;(+)-4-Propyl-9-hydroxynaphthoxazine;(+)-PHNO;Dopazinol;Nazagolide;
EINECS:	200-258-5
Density:	1.109 g/cm³
Boiling Point:	391.7 °C at 760 mmHg
Flash Point:	190.7 °C
PSA:	32.70000
LogP:	2.42820

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Specification

The Naxagolide is an organic compound with the formula C₁₅H₂₁NO₂. The IUPAC name of this chemical is (4αR,10βR)-4-propyl-2,3,4α,5,6,10β-hexahydrobenzo[h][1,4]benzoxazin-9-ol. With the CAS registry number 88058-88-2, it is also named as Naxagolidum. The product's classification codes are Dopamine Agents; Dopamine agonists; Neurotransmitter Agents.

Physical properties about Naxagolide are: (1)ACD/LogP: 2.55; (2)ACD/LogD (pH 5.5): 0.37; (3)ACD/LogD (pH 7.4): 2.05; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 16.07; (6)ACD/KOC (pH 5.5): 3.79; (7)ACD/KOC (pH 7.4): 182.65; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 21.7 Å²; (12)Index of Refraction: 1.553; (13)Molar Refractivity: 71.32 cm³; (14)Molar Volume: 222.8 cm³; (15)Polarizability: 28.27×10^-24cm³; (16)Surface Tension: 40.2 dyne/cm; (17)Density: 1.109 g/cm³; (18)Flash Point: 190.7 °C; (19)Enthalpy of Vaporization: 66.64 kJ/mol; (20)Boiling Point: 391.7 °C at 760 mmHg; (21)Vapour Pressure: 1.07E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc3c(c1)[C@H]2OCCN([C@@H]2CC3)CCC
(2)InChI: InChI=1/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
(3)InChIKey: JCSREICEMHWFAY-HUUCEWRRBJ
(4)Std. InChI: InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
(5)Std. InChIKey: JCSREICEMHWFAY-HUUCEWRRSA-N