Product Name

  • Name

    1-(PIPERIDIN-1-YLMETHYL)-2-NAPHTHOL

  • EINECS
  • CAS No. 5342-95-0
  • Article Data15
  • CAS DataBase
  • Density 1.158g/cm3
  • Solubility
  • Melting Point 93 °C
  • Formula C16H19NO
  • Boiling Point 393.2 °C at 760 mmHg
  • Molecular Weight 241.333
  • Flash Point 198.8 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 5342-95-0 (1-(PIPERIDIN-1-YLMETHYL)-2-NAPHTHOL)
  • Hazard Symbols
  • Synonyms 2-Naphthol,1-(piperidinomethyl)- (7CI,8CI);1-(Piperidinomethyl)-2-naphthol;1-Piperidinylmethyl-2-naphthol;NSC 3684;
  • PSA 23.47000
  • LogP 3.46920

1-(Piperidinomethyl)-2-naphthol 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.

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