Butanamide,N-[2-(7-methoxy-1-naphthalenyl)ethyl]- supplier

Name
N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide
EINECS
CAS No. 138112-99-9
Article Data4
CAS DataBase
Density 1.075 g/cm³
Solubility
Melting Point
Formula C₁₇H₂₁NO₂
Boiling Point 494.5 °C at 760 mmHg
Molecular Weight 271.359
Flash Point 252.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-[2-(7-Methoxy-1-naphthyl)ethyl]butanamide;S 20243;
PSA
LogP

Butanamide,N-[2-(7-methoxy-1-naphthalenyl)ethyl]- Specification

The Butanamide,N-[2-(7-methoxy-1-naphthalenyl)ethyl]-, with the CAS registry number 138112-99-9, is also known as N-(2-(7-Methoxy-1-naphthalenyl)ethyl)butanamide. This chemical's molecular formula is C₁₇H₂₁NO₂ and molecular weight is 271.3541. Its classification code is Drug / Therapeutic Agent. What's more, both its IUPAC name and systematic name are the same which is called N-[2-(7-Methoxynaphthalen-1-yl)ethyl]butanamide.

Physical properties about Butanamide,N-[2-(7-methoxy-1-naphthalenyl)ethyl]- are: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 200.47; (6)ACD/BCF (pH 7.4): 200.47; (7)ACD/KOC (pH 5.5): 1546.75; (8)ACD/KOC (pH 7.4): 1546.75; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 82.47 cm³; (15)Molar Volume: 252.3 cm³; (16)Polarizability: 32.69×10^-24cm³; (17)Surface Tension: 40.4 dyne/cm; (18)Density: 1.075 g/cm³; (19)Flash Point: 252.9 °C; (20)Enthalpy of Vaporization: 76.19 kJ/mol; (21)Boiling Point: 494.5 °C at 760 mmHg; (22)Vapour Pressure: 6.4E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(NCCc1c2c(ccc1)ccc(OC)c2)CCC
(2) InChI: InChI=1/C17H21NO2/c1-3-5-17(19)18-11-10-14-7-4-6-13-8-9-15(20-2)12-16(13)14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,18,19)
(3) InChIKey: OLBZALDKGALNQC-UHFFFAOYAS

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	> 1 gm/kg (1000 mg/kg)		United States Patent Document. Vol. #5318994,

Product Name

N-[2-(7-methoxynaphthalen-1-yl)ethyl]butanamide

Butanamide,N-[2-(7-methoxy-1-naphthalenyl)ethyl]- Specification

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