CAS No.172478-01-2,3-N-BOC-3-(METHYLAMINO)PIPERIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	172478-01-2
Name:	3-N-BOC-3-(METHYLAMINO)PIPERIDINE
Article Data:	6

Formula:	C₁₁H₂₂N₂O₂
Molecular Weight:	214.30
Synonyms:	Carbamicacid, methyl-3-piperidinyl-, 1,1-dimethylethyl ester (9CI);3-[(tert-Butoxycarbonyl)(methyl)amino]piperidine;3-(N-Boc-N-methyl)aminopiperidine;tert-Butyl methyl(piperidin-3-yl)carbamate;
Density:	1.019 g/cm³
Boiling Point:	287.863 °C at 760 mmHg
Flash Point:	127.895 °C
PSA:	41.57000
LogP:	1.93410

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Specification

The IUPAC name of 3-(N-Boc-N-methyl)aminopiperidine is tert-butyl N-methyl-N-piperidin-4-ylcarbamate. With the CAS registry number 172478-01-2, it is also named as 3-[(tert-Butoxycarbonyl)(methyl)amino]piperidine. The product's categories are Amines; Pyrans, Piperidines & Piperazines; Pyrans, Piperidines & Piperazines. In addition, its molecular formula is C₁₁H₂₂N₂O₂ and its molecular weight is 214.30.

The other characteristics of 3-(N-Boc-N-methyl)aminopiperidine can be summarized as: (1)ACD/LogP: 1.69; (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): 1.47; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 41.57 Å²; (11)Index of Refraction: 1.485; (12)Molar Refractivity: 60.3 cm³; (13)Molar Volume: 210.3 cm³; (14)Polarizability: 23.9×10^-24cm³; (15)Surface Tension: 36 dyne/cm; (16)Density: 1.01 g/cm³; (17)Flash Point: 127.9 °C; (18)Enthalpy of Vaporization: 52.71 kJ/mol; (19)Boiling Point: 287.9 °C at 760 mmHg; (20)Vapour Pressure: 0.00242 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: CN(C(=O)OC(C)(C)C)C1CCCNC1
(2)InChI: InChI=1/C11H22N2O2/c1-11(2,3)15-10(14)13(4)9-6-5-7-12-8-9/h9,12H,5-8H2,1-4H3
(3)InChIKey: RTXNDTNDOHQMTI-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13(4)9-6-5-7-12-8-9/h9,12H,5-8H2,1-4H3
(5)Std. InChIKey: RTXNDTNDOHQMTI-UHFFFAOYSA-N