Propanamide,3-[(4-methoxyphenyl)amino]- supplier

Name
3-[(4-METHOXYPHENYL)AMINO]PROPANAMIDE
EINECS
CAS No. 21017-46-9
Article Data4
CAS DataBase
Density 1.165g/cm³
Solubility
Melting Point
Formula C₁₀H₁₄N₂O₂
Boiling Point 446 °C at 760 mmHg
Molecular Weight 194.233
Flash Point 223.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Propionamide,3-p-anisidino- (8CI);
PSA 64.35000
LogP 1.75580

Propanamide,3-[(4-methoxyphenyl)amino]- Specification

The Propanamide,3-[(4-methoxyphenyl)amino]-, with CAS registry number 21017-46-9, has the systematic name of N~3~-(4-methoxyphenyl)-beta-alaninamide. Besides this, it is also called 3-[(4-Methoxyphenyl)amino]propanamide. And the chemical formula of this chemical is C₁₀H₁₄N₂O₂.

Physical properties of Propanamide,3-[(4-methoxyphenyl)amino]-: (1)ACD/LogP: -0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.2; (4)ACD/LogD (pH 7.4): -0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 15.64; (8)ACD/KOC (pH 7.4): 22.53; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 55.37 cm³; (15)Molar Volume: 166.7 cm³; (16)Polarizability: 21.95×10^-24cm³; (17)Surface Tension: 47 dyne/cm; (18)Density: 1.165 g/cm³; (19)Flash Point: 223.5 °C; (20)Enthalpy of Vaporization: 70.41 kJ/mol; (21)Boiling Point: 446 °C at 760 mmHg; (22)Vapour Pressure: 3.78E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)CCNc1ccc(OC)cc1
(2)InChI: InChI=1/C10H14N2O2/c1-14-9-4-2-8(3-5-9)12-7-6-10(11)13/h2-5,12H,6-7H2,1H3,(H2,11,13)
(3)InChIKey: ZWNAUQAHUDFIHE-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C10H14N2O2/c1-14-9-4-2-8(3-5-9)12-7-6-10(11)13/h2-5,12H,6-7H2,1H3,(H2,11,13)
(5)Std. InChIKey: ZWNAUQAHUDFIHE-UHFFFAOYSA-N

Product Name

3-[(4-METHOXYPHENYL)AMINO]PROPANAMIDE

Propanamide,3-[(4-methoxyphenyl)amino]- Specification

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