Methyl (R)-3-acetamido-3-phenylpropanoate supplier

Name
Methyl (R)-3-acetamido-3-phenylpropanoate
EINECS
CAS No. 67654-57-3
Article Data40
CAS DataBase
Density 1.114 g/cm³
Solubility
Melting Point 94-95 °C
Formula C₁₂H₁₅NO₃
Boiling Point 406.1 °C at 760 mmHg
Molecular Weight 221.256
Flash Point 199.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-methyl-3-acetamido-3-phenylpropanoate; methyl (S)-3-acetylamino-3-phenylpropionate; (-)-S-methyl 3-amino-3-phenylpropanoate acetamide; 3-acetylamino-(R)-3-phenylpropionic acid methyl ester; methyl (S)-3-acetamido-3-phenylpropanoate; (S)-methyl 3-acetamido-3-phenyl-propanoate; methyl 3-acetylamino-3-phenylpropanoate; 查看更多英文别名收起
PSA 55.40000
LogP 1.81780

Methyl (R)-3-acetamido-3-phenylpropanoate Specification

The Methyl (R)-3-acetamido-3-phenylpropanoate, with CAS registry number 67654-57-3, belongs to the following product categorie: API intermediates. It has the systematic name of methyl (3R)-3-(acetylamino)-3-phenylpropanoate. Besides this, it is also called benzenepropanoic acid, β-(acetylamino)-, methyl ester, (betaR)-.

Physical properties about this chemical are: (1)ACD/LogP: 0.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.98; (4)ACD/LogD (pH 7.4): 0.98; (5)ACD/BCF (pH 5.5): 3.3; (6)ACD/BCF (pH 7.4): 3.3; (7)ACD/KOC (pH 5.5): 81.77; (8)ACD/KOC (pH 7.4): 81.77; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 59.73 cm³; (15)Molar Volume: 198.4 cm³; (16)Polarizability: 23.68×10^-24cm³; (17)Surface Tension: 40.1 dyne/cm; (18)Enthalpy of Vaporization: 65.77 kJ/mol; (19)Vapour Pressure: 8.36E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C[C@@H](NC(=O)C)c1ccccc1
(2)InChI: InChI=1/C12H15NO3/c1-9(14)13-11(8-12(15)16-2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)/t11-/m1/s1
(3)InChIKey: KAZREVDICMUGDL-LLVKDONJBQ
(4)Std. InChI: InChI=1S/C12H15NO3/c1-9(14)13-11(8-12(15)16-2)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3,(H,13,14)/t11-/m1/s1
(5)Std. InChIKey: KAZREVDICMUGDL-LLVKDONJSA-N

Product Name

Methyl (R)-3-acetamido-3-phenylpropanoate

Methyl (R)-3-acetamido-3-phenylpropanoate Specification

Related Products

Hot Products