CAS No.5342-95-0,1-(PIPERIDIN-1-YLMETHYL)-2-NAPHTHOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5342-95-0
Name:	1-(PIPERIDIN-1-YLMETHYL)-2-NAPHTHOL
Article Data:	15

Formula:	C₁₆H₁₉NO
Molecular Weight:	241.333
Synonyms:	2-Naphthol,1-(piperidinomethyl)- (7CI,8CI);1-(Piperidinomethyl)-2-naphthol;1-Piperidinylmethyl-2-naphthol;NSC 3684;
Density:	1.158g/cm³
Melting Point:	93 °C
Boiling Point:	393.2 °C at 760 mmHg
Flash Point:	198.8 °C
PSA:	23.47000
LogP:	3.46920

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Specification

The 2-Naphthalenol,1-(1-piperidinylmethyl)-, with CAS registry number 5342-95-0, has the systematic name of 1-(piperidin-1-ylmethyl)naphthalen-2-ol. Besides this, it is also called 2-Naphthol, 1-piperidino-methyl-. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C₁₆H₁₉NO.

Physical properties of 2-Naphthalenol,1-(1-piperidinylmethyl)-: (1)ACD/LogP: 3.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.6; (4)ACD/LogD (pH 7.4): 2.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 16.5; (7)ACD/KOC (pH 5.5): 3.1; (8)ACD/KOC (pH 7.4): 132.64; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 75.51 cm³; (15)Molar Volume: 208.3 cm³; (16)Polarizability: 29.93×10^-24cm³; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.158 g/cm³; (19)Flash Point: 198.8 °C; (20)Enthalpy of Vaporization: 66.82 kJ/mol; (21)Boiling Point: 393.2 °C at 760 mmHg; (22)Vapour Pressure: 9.56E-07 mmHg at 25°C.

Uses of 2-Naphthalenol,1-(1-piperidinylmethyl)-: it can be used to produce C₂₉H₂₇NO₂. This reaction will need solvent dioxane. The reaction time is 5 hour(s). The yield is about 75%.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc2c(c1ccccc1cc2)CN3CCCCC3
(2)InChI: InChI=1/C16H19NO/c18-16-9-8-13-6-2-3-7-14(13)15(16)12-17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-12H2
(3)InChIKey: WFZSFSMELSBBJO-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C16H19NO/c18-16-9-8-13-6-2-3-7-14(13)15(16)12-17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-12H2
(5)Std. InChIKey: WFZSFSMELSBBJO-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
guinea pig	LDLo	subcutaneous	200mg/kg (200mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 73, Pg. 27, 1941.
mouse	LD50	intravenous	46mg/kg (46mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS	British Journal of Pharmacology and Chemotherapy. Vol. 12, Pg. 194, 1957.