CAS No.539-23-1,5-AMINO-2-BUTOXYPYRIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	539-23-1
Name:	5-AMINO-2-BUTOXYPYRIDINE
Article Data:	9

Formula:	C₉H₁₄N₂O
Molecular Weight:	166.223
Synonyms:	3-Amino-6-butoxypyridine;
Density:	1.048 g/cm³
Boiling Point:	297.2 °C at 760 mmHg
Flash Point:	133.5 °C
PSA:	48.14000
LogP:	2.42390

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Specification

The 3-Pyridinamine,6-butoxy-, with the CAS registry number 539-23-1, is also known as 3-Amino-6-butoxypyridine. This chemical's molecular formula is C₉H₁₄N₂O and molecular weight is 166.2203. What's more, its systematic name is called 6-Butoxypyridin-3-amine. Its classification code is Drug/Therapeutic Agent.

Physical properties about 3-Pyridinamine,6-butoxy- are: (1)ACD/LogP: 2.07; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 2.07; (5)ACD/BCF (pH 5.5): 20.12; (6)ACD/BCF (pH 7.4): 21.84; (7)ACD/KOC (pH 5.5): 291.46; (8)ACD/KOC (pH 7.4): 316.35; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 25.36 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 49.15 cm³; (15)Molar Volume: 158.4 cm³; (16)Polarizability: 19.48×10^-24 cm³; (17)Surface Tension: 41.9 dyne/cm; (18)Density: 1.048 g/cm³; (19)Flash Point: 133.5 °C; (20)Enthalpy of Vaporization: 53.7 kJ/mol; (21)Boiling Point: 297.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00137 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ncc(cc1)N)CCCC
(2) InChI: InChI=1/C9H14N2O/c1-2-3-6-12-9-5-4-8(10)7-11-9/h4-5,7H,2-3,6,10H2,1H3
(3) InChIKey: DAFKCYYRSZSMAJ-UHFFFAOYAA

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	500mg/kg (500mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 153, 1947.
mouse	LD50	subcutaneous	500mg/kg (500mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 153, 1947.