| Identification | |
| Name: | Clausenamide |
| Synonyms: | 2-Pyrrolidinone,3-hydroxy-5-[(R)-hydroxyphenylmethyl]- 1-methyl-4-phenyl-,(3R,4S,- 5S)-rel-;DL-Xylonic acid, 3,4-dideoxy-4-(methylamino)-3-phenyl-5-C-phenyl-, gamma-lactam, (S*)-;(-)Clausenamide; |
| CAS: | 103541-15-7 |
| Molecular Formula: | C18H19NO3 |
| Molecular Weight: | 297.3484 |
| InChI: | InChI=1/C18H19NO3/c1-19-15(16(20)13-10-6-3-7-11-13)14(17(21)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3/t14-,15-,16+,17+/m0/s1 |
| Molecular Structure: | ![(C18H19NO3) 2-Pyrrolidinone,3-hydroxy-5-[(R)-hydroxyphenylmethyl]- 1-methyl-4-phenyl-,(3R,4S,- 5S)-rel-;DL-Xylon...](https://img1.guidechem.com/chem/e/dict/90/103541-15-7.jpg) |
| Properties | |
| Density: | 1.27 g/cm3 |
| Refractive index: | 1.633 |
| Specification: |
The Clausenamide, with the cas registry number 103541-15-7, has the systematic name of (3R,4S,5S)-3-hydroxy-5-[(R)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one. And the molecular formula of the chemical is C18H19NO3. The characteristics of this chemical are as followings: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.55; (4)ACD/LogD (pH 7.4): 1.55; (5)ACD/BCF (pH 5.5): 8.89; (6)ACD/BCF (pH 7.4): 8.89; (7)ACD/KOC (pH 5.5): 166.22; (8)ACD/KOC (pH 7.4): 166.22; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 83.59 cm3; (15)Molar Volume: 233.9 cm3; (16)Polarizability: 33.13×10-24cm3; (17)Surface Tension: 57.9 dyne/cm; (18)Density: 1.27 g/cm3; (19)Flash Point: 275.3 °C; (20)Enthalpy of Vaporization: 84.97 kJ/mol; (21)Boiling Point: 531.7 °C at 760 mmHg; (22)Vapour Pressure: 3.91E-12 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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