Name: (+)-PD 128907 HYDROCHLORIDE
SKU: 123594-64-9

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Basic Information

Molecular Structure:
CAS No.:	123594-64-9
Name:	(+)-PD 128907 HYDROCHLORIDE
Article Data:	3

Formula:	C₁₄H₁₉NO₃
Molecular Weight:	249.31
Synonyms:	PD 128907;2H,5H-[1]Benzopyrano[4,3-b]-1,4-oxazin-9-ol,3,4,4a,10b-tetrahydro-4-propyl-, trans-;
Density:	1.165 g/cm³
Boiling Point:	389 °C at 760 mmHg
Flash Point:	189 °C
Safety:	24/25
PSA:	41.93000
LogP:	1.87440

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Specification

The CAS registry number of 2H,5H-[1]Benzopyrano[4,3-b]-1,4-oxazin-9-ol,3,4,4a,10b-tetrahydro-4-propyl-, (4aS,10bS)-rel- is 123594-64-9. In addition, the molecular formula is C₁₄H₁₉NO₃ and the molecular weight is 249.31. The IUPAC name is (4aS,10bS)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-ol. What's more, it belongs to the classes of Dopamine Agents; Psychotropic Drugs; Tranquilizing Agents; Central Nervous System Agents.

Physical properties about this chemical are: (1)ACD/LogP: 2.08; (2)ACD/LogD (pH 5.5): 0.71; (3)ACD/LogD (pH 7.4): 1.97; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 17.47; (6)ACD/KOC (pH 5.5): 13.84; (7)ACD/KOC (pH 7.4): 250.94; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 30.93 Å²; (12)Index of Refraction: 1.551; (13)Molar Refractivity: 68.32 cm³; (14)Molar Volume: 213.8 cm³; (15)Polarizability: 27.08 ×10^-24cm³; (16)Surface Tension: 41 dyne/cm; (17)Density: 1.165 g/cm³; (18)Flash Point: 189 °C; (19)Enthalpy of Vaporization: 66.32 kJ/mol; (20)Boiling Point: 389 °C at 760 mmHg; (21)Vapour Pressure: 1.32E-06 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
During using it, you should avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O2c1c(cc(O)cc1)[C@@H]3OCCN([C@H]3C2)CCC
(2)InChI: InChI=1/C14H19NO3/c1-2-5-15-6-7-17-14-11-8-10(16)3-4-13(11)18-9-12(14)15/h3-4,8,12,14,16H,2,5-7,9H2,1H3/t12-,14-/m0/s1
(3)InChIKey: YOILXOMTHPUMRG-JSGCOSHPBB