CAS No.70371-56-1,(S)-(+)-2-(2,6-XYLIDINOMETHYL)PYRROLIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	70371-56-1
Name:	(S)-(+)-2-(2,6-XYLIDINOMETHYL)PYRROLIDINE
Article Data:	1

Formula:	C₁₃H₂₀N₂
Molecular Weight:	204.315
Synonyms:	2-Pyrrolidinemethanamine,N-(2,6-dimethylphenyl)-, (S)-;Xylidinomethylpyrrolidine;[S,(+)]-N-(2,6-Dimethylphenyl)-2-pyrrolidinemethanamine;2,6-Dimethyl-N-[(2S)-pyrrolidin-2-ylmethyl]aniline;
Density:	1.01 g/cm³
Boiling Point:	341.9 °C at 760 mmHg
Flash Point:	202 °C
Appearance:	transparent liquid
Safety:	24/25
PSA:	24.06000
LogP:	2.86910

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Specification

The systematic name of 2-Pyrrolidinemethanamine,N-(2,6-dimethylphenyl)-, (2S)- is 2,6-dimethyl-N-[(2S)-pyrrolidin-2-ylmethyl]aniline. With the CAS registry number 70371-56-1, it is also named as [S,(+)]-N-(2,6-Dimethylphenyl)-2-pyrrolidinemethanamine. The product's categories are Chiral; Asymmetric Synthesis; Synthetic Organic Chemistry. Besides, it is transparent liquid, which should be stored in sealed containers in a cool, dry place away from oxidizing agents. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C₁₃H₂₀N₂ and molecular weight is 204.31.

The other characteristics of 2-Pyrrolidinemethanamine,N-(2,6-dimethylphenyl)-, (2S)- can be summarized as: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 2; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 24.06 Å²; (11)Index of Refraction: 1.559; (12)Molar Refractivity: 65.31 cm³; (13)Molar Volume: 202.2 cm³; (14)Polarizability: 25.89×10^-24cm³; (15)Surface Tension: 39.4 dyne/cm; (16)Density: 1.01 g/cm³; (17)Flash Point: 202 °C; (18)Enthalpy of Vaporization: 58.56 kJ/mol; (19)Boiling Point: 341.9 °C at 760 mmHg; (20)Vapour Pressure: 7.82E-05 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Cc2cccc(C)c2NC[C@@H]1CCCN1
(2)InChI: InChI=1/C13H20N2/c1-10-5-3-6-11(2)13(10)15-9-12-7-4-8-14-12/h3,5-6,12,14-15H,4,7-9H2,1-2H3/t12-/m0/s1
(3)InChIKey: UWCWUCKPEYNDNV-LBPRGKRZBJ
(4)Std. InChI: InChI=1S/C13H20N2/c1-10-5-3-6-11(2)13(10)15-9-12-7-4-8-14-12/h3,5-6,12,14-15H,4,7-9H2,1-2H3/t12-/m0/s1
(5)Std. InChIKey: UWCWUCKPEYNDNV-LBPRGKRZSA-N