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| CAS No.: | 175481-37-5 |
|---|---|
| Name: | (S)-2-Acetamido-N-benzyl-3-methoxypropanamide |
| Molecular Structure: | |
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| Formula: | C13H18N2O3 |
| Molecular Weight: | 250.298 |
| Synonyms: | Propanamide,2-(acetylamino)-3-methoxy-N-(phenylmethyl)-, (S)-;SPM 6953;(S)-2-Acetamido-N-benzyl-3-methoxypropanamide; |
| EINECS: | 200-158-5 |
| Density: | 1.12 g/cm3 |
| Boiling Point: | 536.447 °C at 760 mmHg |
| Flash Point: | 278.233 °C |
| PSA: | 74.41000 |
| LogP: | 2.13450 |
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Specification
The (S)-2-Acetamido-N-benzyl-3-methoxypropanamide with the cas number 175481-37-5 is also called Propanamide,2-(acetylamino)-3-methoxy-N-(phenylmethyl)-, (2S)-. The systematic name is N~2~-acetyl-N-benzyl-O-methylserinamide. Its molecular formula is C13H18N2O3. It should be stored in dry and cool environment.
The properties of the chemical are: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 74; (8)ACD/KOC (pH 7.4): 74; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 67.43 Å2; (13)Index of Refraction: 1.52; (14)Molar Refractivity: 67.919 cm3; (15)Molar Volume: 223.395 cm3; (16)Polarizability: 26.925×10-24cm3; (17)Surface Tension: 41.175 dyne/cm; (18)Enthalpy of Vaporization: 81.314 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(=O)NC(COC)C(=O)NCc1ccccc1
(2)InChI: InChI=1/C13H18N2O3/c1-10(16)15-12(9-18-2)13(17)14-8-11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3,(H,14,17)(H,15,16)
(3)InChIKey: VPPJLAIAVCUEMN-UHFFFAOYAI