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415678-40-9

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Basic Information
CAS No.: 415678-40-9
Name: (2S,5S)-5-Benzyl-3-methyl-2-(5-methyl-2-furyl)-4-imidazolidinone, 95%
Article Data: 3
Molecular Structure:
Molecular Structure of 415678-40-9 ((2S,5S)-5-Benzyl-3-methyl-2-(5-methyl-2-furyl)-4-imidazolidinone, 95%)
Formula: C16H18N2O2
Molecular Weight: 270.331
Synonyms: (2S,5S)-5-Benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one;
Density: 1.155 g/cm3
Boiling Point: 438.6 °C at 760 mmHg
Flash Point: 219 °C
Hazard Symbols: T
Risk Codes: 25-36/37/38
Safety: 26-36-45
PSA: 45.48000
LogP: 2.52620
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Specification

The (2S,5S)-(-)-5-Benzyl-3-methyl-2-(5-methyl-2-furyl)-4-imidazolidinone is an organic compound with the formula C16H18N2O2. The systematic name of this product is (2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one. With the CAS registry number 415678-40-9, it is also named as (2S,5S)-3-Methyl-2-(5-methyl-2-furanyl)-5-(phenylmethyl)-4-imidazolidinone. This chemical must be avoided direct sunshine. It is toxic if swallowed.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.1; (5)ACD/BCF (pH 5.5): 22.7; (6)ACD/BCF (pH 7.4): 23.39; (7)ACD/KOC (pH 5.5): 322.58; (8)ACD/KOC (pH 7.4): 332.25; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.566; (13)Molar Refractivity: 76.32 cm3; (14)Molar Volume: 233.8 cm3; (15)Polarizability: 30.25×10-24 cm3; (16)Surface Tension: 42.6 dyne/cm; (17)Enthalpy of Vaporization: 69.54 kJ/mol; (18)Vapour Pressure: 6.84E-08 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C1N([C@H](N[C@H]1Cc2ccccc2)c3oc(cc3)C)C;
2.InChI: InChI=1/C16H18N2O2/c1-11-8-9-14(20-11)15-17-13(16(19)18(15)2)10-12-6-4-3-5-7-12/h3-9,13,15,17H,10H2,1-2H3/t13-,15-/m0/s1.