Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

N-(3-Methoxyphenyl)urea

Related Products

Hot Products

Name

N-(3-Methoxyphenyl)urea

EINECS N/A
CAS No. 139-77-5 Density 1.243g/cm3
PSA 64.35000 LogP 1.95910
Solubility N/A Melting Point 138-139°C
Formula C8H10N2O2 Boiling Point 279.9 °C at 760 mmHg
Molecular Weight 166.18 Flash Point 123.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes  Xi:Irritant;
Molecular Structure Molecular Structure of 139-77-5 (N-(3-METHOXYPHENYL)UREA) Hazard Symbols IrritantXi
Synonyms

Urea,(3-methoxyphenyl)- (9CI);Urea, (m-methoxyphenyl)- (6CI,7CI,8CI);(m-Methoxyphenyl)urea;3-Methoxyphenylurea;3-Ureidoanisole;G 5;NSC 526659;

Article Data 5

N-(3-Methoxyphenyl)urea Specification

The Urea,N-(3-methoxyphenyl)-, with CAS registry number 139-77-5, has the systematic name of 1-(3-methoxyphenyl)urea. Besides this, it is also called N-(3-Methoxyphenyl)urea. Its classification code is Drug / Therapeutic Agent. And the chemical formula of this chemical is C8H10N2O2.

Physical properties of Urea,N-(3-methoxyphenyl)-: (1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.09; (6)ACD/BCF (pH 7.4): 4.09; (7)ACD/KOC (pH 5.5): 95.41; (8)ACD/KOC (pH 7.4): 95.41; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 32.78 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 46.1 cm3; (15)Molar Volume: 133.6 cm3; (16)Polarizability: 18.27×10-24cm3; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.243 g/cm3; (19)Flash Point: 123.1 °C; (20)Enthalpy of Vaporization: 51.86 kJ/mol; (21)Boiling Point: 279.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00391 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-methoxy-aniline and hydrocyanic acid; potassium salt. This reaction will need reagent conc. hydrochloric acid and solvent H2O. The reaction time is 2 hour(s). The yield is about 94%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1cccc(OC)c1)N
(2)InChI: InChI=1/C8H10N2O2/c1-12-7-4-2-3-6(5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
(3)InChIKey: WDHPVLQWHRHMEY-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H10N2O2/c1-12-7-4-2-3-6(5-7)10-8(9)11/h2-5H,1H3,(H3,9,10,11)
(5)Std. InChIKey: WDHPVLQWHRHMEY-UHFFFAOYSA-N

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 664mg/kg (664mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Journal of Pharmacology and Experimental Therapeutics. Vol. 54, Pg. 188, 1935.

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 139-77-5