The CAS registry number of Carbamic acid,[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester (9CI) is 852857-09-1. The IUPAC name is tert-butyl N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]carbamate. In addition, the molecular formula is C17H26N2O2 and the molecular weight is 290.40. It should be stored in a cool and dry place.
Physical properties about Carbamic acid,[[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]methyl]-, 1,1-dimethylethyl ester (9CI) are: (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 7.4): 1.1; (3)#H bond acceptors: 4; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 41.57 Å2; (7)Index of Refraction: 1.527; (8)Molar Refractivity: 84.37 cm3; (9)Molar Volume: 274 cm3; (10)Polarizability: 33.44 ×10-24cm3; (11)Surface Tension: 40 dyne/cm; (12)Density: 1.059 g/cm3; (13)Flash Point: 195.8 °C; (14)Enthalpy of Vaporization: 65.1 kJ/mol; (15)Boiling Point: 400.1 °C at 760 mmHg; (16)Vapour Pressure: 1.3E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)NC[C@@H]2CN(Cc1ccccc1)CC2
(2)Std. InChI: InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)18-11-15-9-10-19(13-15)12-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3,(H,18,20)/t15-/m1/s1
(3)Std. InChIKey: MHRKPCRXBAHJGS-OAHLLOKOSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View