CAS No.404594-16-7,1-BOC-3-(METHYLAMINOMETHYL)-PYRROLIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	404594-16-7
Name:	1-BOC-3-(METHYLAMINOMETHYL)-PYRROLIDINE
Article Data:	4

Formula:	C₁₁H₂₂N₂O₂
Molecular Weight:	214.308
Synonyms:	(R)-tert-Butyl 3-((methylamino)methyl)pyrrolidine-1-carboxylate;
Density:	1.004 g/cm³
Boiling Point:	281.8 °C at 760 mmHg
Flash Point:	124.2 °C
PSA:	41.57000
LogP:	1.79160

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Specification

The 1-Pyrrolidinecarboxylicacid, 3-[(methylamino)methyl]-, 1, 1-dimethylethyl ester, (3R)-, with the CAS registry number 404594-16-7, is also known as (R)-tert-Butyl 3-((methylamino)methyl)pyrrolidine-1-carboxylate. This chemical's molecular formula is C₁₁H₂₂N₂O₂ and molecular weight is 214.30. What's more, its systematic name is tert-Butyl (3R)-3-[(methylamino)methyl]pyrrolidine-1-carboxylate.

Physical properties about 1-Pyrrolidinecarboxylicacid, 3-[(methylamino)methyl]-, 1, 1-dimethylethyl ester, (3R)- are: (1)ACD/LogP: 0.74; (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: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 32.78 Å²; (11)Index of Refraction: 1.472; (12)Molar Refractivity: 59.74 cm³; (13)Molar Volume: 213.3 cm³; (14)Polarizability: 23.68×10^-24 cm³; (15)Surface Tension: 34 dyne/cm; (16)Density: 1.004 g/cm³; (17)Flash Point: 124.2 °C; (18)Enthalpy of Vaporization: 52.07 kJ/mol; (19)Boiling Point: 281.8 °C at 760 mmHg; (20)Vapour Pressure: 0.00348 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N1C[C@H](CC1)CNC
(2) InChI: InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13-6-5-9(8-13)7-12-4/h9,12H,5-8H2,1-4H3/t9-/m1/s1
(3) InChIKey: WUTNESNBEPKXRB-SECBINFHBS