CAS No.852857-09-1,(R)-1-BENZYL-3-N-BOC-AMINOMETHYL PYRROLIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	852857-09-1
Name:	(R)-1-BENZYL-3-N-BOC-AMINOMETHYL PYRROLIDINE

Formula:	C₁₇H₂₆N₂O₂
Molecular Weight:	290.40
Synonyms:	(R)-(1-Benzylpyrrolidin-3-ylmethyl)carbamicacid tert-butyl ester;tert-Butyl N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]carbamate;
Density:	1.059 g/cm³
Boiling Point:	400.1 °C at 760 mmHg
Flash Point:	195.8 °C
PSA:	41.57000
LogP:	3.36200

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Specification

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