CAS No.550378-07-9,(R)-2-(AMINOETHYL)-1-N-BOC-PYRROLIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	550378-07-9
Name:	(R)-2-(AMINOETHYL)-1-N-BOC-PYRROLIDINE
Article Data:	3

Formula:	C₁₁H₂₂N₂O₂
Molecular Weight:	214.308
Synonyms:	tert-Butyl(2R)-2-(2-aminoethyl)-1-pyrrolidinecarboxylate;(R)-2-(Aminoethyl)-1-N-Boc-pyrrolidine;
Density:	1.029 g/cm³
Boiling Point:	297.5 °C at 760 mmHg
Flash Point:	133.7 °C
PSA:	55.56000
LogP:	2.37290

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Specification

The systematic name of (R)-2-(Aminoethyl)-1-N-Boc-pyrrolidine is tert-butyl (2R)-2-(2-aminoethyl)pyrrolidine-1-carboxylate. With the CAS registry number 550378-07-9, it is also named as 1-Pyrrolidinecarboxylicacid, 2-(2-aminoethyl)-, 1,1-dimethylethyl ester, (2R)-. The product's categorie is , its molecular formula is C₁₁H₂₂N₂O₂ and its molecular weight is 214.30.

The other characteristics of (R)-2-(Aminoethyl)-1-N-Boc-pyrrolidine can be summarized as: (1)ACD/LogP: 0.87 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -2.23 ; (4)ACD/LogD (pH 7.4): -1.81 ; (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): 1 ; (9)#H bond acceptors: 4 ; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 5 ; (12)Index of Refraction: 1.485 ; (13)Molar Refractivity: 59.69 cm³ ; (14)Molar Volume: 208.2 cm³ ; (15)Surface Tension: 37.9 dyne/cm ; (16)Density: 1.029 g/cm³ ; (17)Flash Point: 133.7 °C ; (18)Enthalpy of Vaporization: 53.73 kJ/mol ; (19)Boiling Point: 297.5 °C at 760 mmHg ; (20)Vapour Pressure: 0.00135 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC(C)(C)C)N1[C@H](CCC1)CCN;
(2)InChI:InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-8,12H2,1-3H3/t9-/m1/s1;
(3)InChIKey:VCYKQOGWPICUKV-SECBINFHBJ;
(4)Std. InChI:InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-8-4-5-9(13)6-7-12/h9H,4-8,12H2,1-3H3/t9-/m1/s1;
(5)Std. InChIKey:VCYKQOGWPICUKV-SECBINFHSA-N.