CAS No.127641-25-2,(1S,2R)-N-TOSYLEPHEDRINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	127641-25-2
Name:	(1S,2R)-N-TOSYLEPHEDRINE
Article Data:	18

Formula:	C₁₃H₁₉NO
Molecular Weight:	205.3
Synonyms:	(aR,bS)-b-Methyl-a-phenyl-1-pyrrolidineethanol;1-Pyrrolidineethanol,b-methyl-a-phenyl-, [R-(R,S)]-;(1R,2S)-2-Pyrrolidino-1-phenyl-1-propanol;
EINECS:	626-375-6
Density:	1.076 g/cm³
Melting Point:	45-48 °C(lit.)
Boiling Point:	321.268 °C at 760 mmHg
Flash Point:	148.089 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	23.47000
LogP:	2.14220

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Specification

The 1-Pyrrolidineethanol, b-methyl-a-phenyl-, (aR,bS)-, with CAS registry number 127641-25-2, belongs to the following product categories: (1)Asymmetric Synthesis; (2)Synthetic Organic Chemistry; (3)Chiral Building Blocks; (4)Heterocyclic Building Blocks; (5)Pyrrolidines. It has the systematic name of (1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol. And the chemical formula of this chemical is C₁₃H₁₉NO.

Physical properties of 1-Pyrrolidineethanol, b-methyl-a-phenyl-, (aR,bS)-: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 2; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 23.47 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 61.903 cm³; (15)Molar Volume: 190.845 cm³; (16)Polarizability: 24.54×10^-24cm³; (17)Surface Tension: 44.846 dyne/cm; (18)Density: 1.076 g/cm³; (19)Flash Point: 148.089 °C; (20)Enthalpy of Vaporization: 59.437 kJ/mol; (21)Boiling Point: 321.268 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1-Pyrrolidineethanol, b-methyl-a-phenyl-, (aR,bS)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H](c1ccccc1)[C@@H](N2CCCC2)C
(2)InChI: InChI=1/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m0/s1
(3)InChIKey: FZVHJGJBJLFWEX-AAEUAGOBBO
(4)Std. InChI: InChI=1S/C13H19NO/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3/t11-,13-/m0/s1
(5)Std. InChIKey: FZVHJGJBJLFWEX-AAEUAGOBSA-N