Piperoxan supplier | CasNO.59-39-2

Name
Piperoxan
EINECS 205-222-3
CAS No. 59-39-2
Density 1.113 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₉NO₂
Boiling Point 331.5 °C at 760 mmHg
Molecular Weight 233.31
Flash Point 118.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Piperidine,1-(1,4-benzodioxan-2-ylmethyl)- (8CI);Piperoxan (6CI);1,4-Benzodioxin,piperidine deriv.;(RS)-Piperoxane;(?à)-Piperoxane;933F;Benodaine;F 933;Fourneau 933;Piperoxane;
PSA 21.70000
LogP 2.25020

Piperoxan Specification

The Piperoxan is an organic compound with the formula C₁₄H₁₉NO₂. The IUPAC name of this chemical is 1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidine. With the CAS registry number 59-39-2, it is also named as 2-(1-Piperidylmethyl)-1,4-benzodioxan.

Physical properties about Piperoxan are: (1)ACD/LogP: 2.91; (2)ACD/LogD (pH 5.5): 0.15; (3)ACD/LogD (pH 7.4): 1.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 6.77; (6)ACD/KOC (pH 5.5): 1.58; (7)ACD/KOC (pH 7.4): 64.59; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 21.7 Å²; (11)Index of Refraction: 1.546; (12)Molar Refractivity: 66.34 cm³; (13)Molar Volume: 209.4 cm³; (14)Polarizability: 26.3×10^-24cm³; (15)Surface Tension: 40.4 dyne/cm; (16)Density: 1.113 g/cm³; (17)Flash Point: 118.1 °C; (18)Enthalpy of Vaporization: 57.42 kJ/mol; (19)Boiling Point: 331.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000155 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O1c3c(OC(C1)CN2CCCCC2)cccc3
(2)InChI: InChI=1/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2
(3)InChIKey: LYKMMUBOEFYJQG-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H19NO2/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12/h2-3,6-7,12H,1,4-5,8-11H2
(5)Std. InChIKey: LYKMMUBOEFYJQG-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	175mg/kg (175mg/kg)		Journal of Medicinal and Pharmaceutical Chemistry. Vol. 5, Pg. 1285, 1962.
rabbit	LD50	intravenous	35mg/kg (35mg/kg)		Archives Internationales de Pharmacodynamie et de Therapie. Vol. 105, Pg. 317, 1956.

Product Name

Piperoxan

Piperoxan Specification

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