CAS No.39905-47-0,P-DECYLOXYANILINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	39905-47-0
Name:	P-DECYLOXYANILINE
Article Data:	39

Formula:	C₁₆H₂₇NO
Molecular Weight:	249.396
Synonyms:	p-Decyloxyaniline;
Density:	0.943 g/cm³
Boiling Point:	371.3 °C at 760 mmHg
Flash Point:	166.3 °C
PSA:	35.25000
LogP:	5.36950

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Specification

The Benzenamine,4-(decyloxy)-, with the CAS registry number of 39905-47-0, is also known as p-Decyloxyaniline. It belongs to the product category of Alkylanilines. This chemical's molecular formula is C₁₆H₂₇NO and molecular weight is 249.39. What's more, its IUPAC name is 4-Decoxyaniline. This chemical's classification code is Drug / Therapeutic Agent.

Physical properties about the Benzenamine,4-(decyloxy)- are: (1)ACD/LogP: 5.53; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.34; (4)ACD/LogD (pH 7.4): 5.52; (5)ACD/BCF (pH 5.5): 6085.57; (6)ACD/BCF (pH 7.4): 9272.71; (7)ACD/KOC (pH 5.5): 15760.98; (8)ACD/KOC (pH 7.4): 24015.32; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.508; (14)Molar Refractivity: 78.86 cm³; (15)Molar Volume: 264.2 cm³; (16)Surface Tension: 36.1 dyne/cm; (17)Density: 0.943 g/cm³; (18)Flash Point: 166.3 °C; (19)Enthalpy of Vaporization: 61.83 kJ/mol; (20)Boiling Point: 371.3 °C at 760 mmHg; (21)Vapour Pressure: 1.04E-05 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 2-{4-[(4-Decyloxy-phenylimino)-methyl]-phenoxy}-N-(4-methoxy-phenyl)-acetamid. This reaction needs reagent p-Formylphenyl p-methoxyphenylcarbamoylmethyl ether. Meanwhile, it needs solvent Tetrahydrofuran. The yield is about 69%.

The Benzenamine,4-(decyloxy)- can react with p-Formylphenyl p-methoxyphenylcarbamoylmethyl ether to get 2-{4-[(4-Decyloxy-phenylimino)-methyl]-phenoxy}-N-(4-methoxy-phenyl)-acetamid

You can still convert the following datas into molecular structure:
(1) SMILES: O(c1ccc(cc1)N)CCCCCCCCCC
(2) InChI: InChI=1/C16H27NO/c1-2-3-4-5-6-7-8-9-14-18-16-12-10-15(17)11-13-16/h10-13H,2-9,14,17H2,1H3
(3) InChIKey: XWGJQNKDSHYJID-UHFFFAOYAS

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	1500mg/kg (1500mg/kg)		British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 238, 1958. Link to PubMed