Clausenamide supplier | CasNO.103541-15-7

Name
Clausenamide
EINECS
CAS No. 103541-15-7
Article Data2
CAS DataBase
Density 1.27 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₉NO₃
Boiling Point 531.7 °C at 760 mmHg
Molecular Weight 297.354
Flash Point 275.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 60.77000
LogP 1.64320

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

Product Name

Clausenamide

Clausenamide Specification

Related Products

Hot Products