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Clausenamide

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Name

Clausenamide

EINECS N/A
CAS No. 103541-15-7 Density 1.27 g/cm3
PSA 60.77000 LogP 1.64320
Solubility N/A Melting Point N/A
Formula C18H19NO3 Boiling Point 531.7 °C at 760 mmHg
Molecular Weight 297.354 Flash Point 275.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 103541-15-7 (Clausenamide) Hazard Symbols N/A
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;

Article Data 2

Clausenamide 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:
(1)SMILES: O=C3N(C)[C@H]([C@H](O)c1ccccc1)[C@H](c2ccccc2)[C@H]3O
(2)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
(3)InChIKey: WGYGSZOQGYRGIP-MWDXBVQZBI

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