CAS No.391248-13-8,R-4-AMINOMETHYL-THIAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER Suppliers

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Basic Information

Molecular Structure:
CAS No.:	391248-13-8
Name:	R-4-AMINOMETHYL-THIAZOLIDINE-3-CARBOXYLIC ACID TERT-BUTYL ESTER
Article Data:	1

Formula:	C₉H₁₈N₂O₂S
Molecular Weight:	218.32
Synonyms:	(R)-4-Aminomethylthiazolidine-3-carboxylicacid tert-butyl ester;
Density:	1.141 g/cm³
Boiling Point:	323.1 °C at 760 mmHg
Flash Point:	149.2 °C
PSA:	80.86000
LogP:	1.89330

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Specification

The (R)-4-Aminomethylthiazolidine-3-carboxylic acid tert-butyl ester, with the CAS registry number 391248-13-8, is also known as 3-Thiazolidinecarboxylic acid, 4-(aminomethyl)-, 1,1-dimethylethyl ester, (4R)-. This chemical's molecular formula is C₉H₁₈N₂O₂S and molecular weight is 218.32. Its systematic name is called tert-butyl (4R)-4-(aminomethyl)-1,3-thiazolidine-3-carboxylate.

Physical properties about (R)-4-Aminomethylthiazolidine-3-carboxylic acid tert-butyl ester are: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.63; (4)ACD/LogD (pH 7.4): -1.71; (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: 4; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 58.6 cm³; (14)Molar Volume: 191.1 cm³; (15)Surface Tension: 42.8 dyne/cm; (16)Density: 1.141 g/cm³; (17)Flash Point: 149.2 °C; (18)Enthalpy of Vaporization: 56.5 kJ/mol; (19)Boiling Point: 323.1 °C at 760 mmHg; (20)Vapour Pressure: 0.000268 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1[C@@H](CSC1)CN
(2)InChI: InChI=1/C9H18N2O2S/c1-9(2,3)13-8(12)11-6-14-5-7(11)4-10/h7H,4-6,10H2,1-3H3/t7-/m1/s1
(3)InChIKey: XRUIGLRQDKZXKJ-SSDOTTSWBT