CAS No.405887-36-7,1N-Boc 3-(4'-nitrophenoxy) pyrrolidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	405887-36-7
Name:	1N-Boc 3-(4'-nitrophenoxy) pyrrolidine
Article Data:	2

Formula:	C₁₅H₂₀N₂O₅
Molecular Weight:	308.334
Synonyms:	1-(tert-Butoxycarbonyl)-3-(4-nitrophenoxy)pyrrolidine;tert-Butyl 3-(4-nitrophenoxy)pyrrolidine-1-carboxylate;3-(4-Nitro-phenoxy)-pyrrolidine-1-carboxylic acid tert-butyl ester;
Density:	1.242 g/cm³
Boiling Point:	440.172 °C at 760 mmHg
Flash Point:	220.008 °C
PSA:	84.59000
LogP:	3.44410

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Specification

The 1-Pyrrolidinecarboxylic acid, 3-(4-nitrophenoxy)-, 1,1-dimethylethyl ester, with the CAS registry number 405887-36-7, is also known as 1-(tert-Butoxycarbonyl)-3-(4-nitrophenoxy)pyrrolidine. This chemical's molecular formula is C₁₅H₂₀N₂O₅ and molecular weight is 308.33. What's more, its systematic name is tert-butyl 3-(4-nitrophenoxy)pyrrolidine-1-carboxylate.

Physical properties of 1-Pyrrolidinecarboxylic acid, 3-(4-nitrophenoxy)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 3.10; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.104; (4)ACD/LogD (pH 7.4): 3.104; (5)ACD/BCF (pH 5.5): 134.586; (6)ACD/BCF (pH 7.4): 134.586; (7)ACD/KOC (pH 5.5): 1162.913; (8)ACD/KOC (pH 7.4): 1162.913; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 84.59 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 79.67 cm³; (15)Molar Volume: 248.287 cm³; (16)Polarizability: 31.583×10^-24cm³; (17)Surface Tension: 49.395 dyne/cm; (18)Density: 1.242 g/cm³; (19)Flash Point: 220.008 °C; (20)Enthalpy of Vaporization: 69.725 kJ/mol; (21)Boiling Point: 440.172 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC(C1)Oc2ccc(cc2)[N+](=O)[O-]
(2)Std. InChI: InChI=1S/C15H20N2O5/c1-15(2,3)22-14(18)16-9-8-13(10-16)21-12-6-4-11(5-7-12)17(19)20/h4-7,13H,8-10H2,1-3H3
(3)Std. InChIKey: SGQPXIZHVCLLRP-UHFFFAOYSA-N