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1-Piperidinecarboxylicacid, 4-[(methoxymethylamino)carbonyl]-, 1,1-dimethylethyl ester (139290-70-3)

Identification
Name:1-Piperidinecarboxylicacid, 4-[(methoxymethylamino)carbonyl]-, 1,1-dimethylethyl ester
Synonyms:1,1-Dimethylethyl4-[[methyl(methoxy)amino]carbonyl]-1-piperidinecarboxylate;1-(tert-Butoxycarbonyl)piperidine-4-N-methyl-N-methoxycarboxamide;4-(N-Methoxy-N-methylcarbamoyl)piperidine-1-carboxylic acid tert-butyl ester;4-[(Methoxymethylamino)carbonyl]-1-piperidinecarboxylic acid 1,1-dimethylethylester;4-[(N-Methoxy-N-methylamino)carbonyl]-1-piperidinecarboxylic acid1,1-dimethylethyl ester;tert-Butyl4-(methoxy(methyl)carbamoyl)piperidine-1-carboxylate;tert-Butyl4-[[methoxy(methyl)amino]carbonyl]-1-piperidinecarboxylate;
CAS:139290-70-3
Molecular Formula: C13H24N2O4
Molecular Weight: 272.34
InChI: InChI=1/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)11(16)14(4)18-5/h10H,6-9H2,1-5H3
Molecular Structure: (C13H24N2O4) 1,1-Dimethylethyl4-[[methyl(methoxy)amino]carbonyl]-1-piperidinecarboxylate;1-(tert-Butoxycarbonyl)p...
Properties
Flash Point: 161.7°C
Boiling Point: 343.8°Cat760mmHg
Density:1.106g/cm3
Refractive index:1.487
Appearance:Pale yellow oil
Specification:

The cas register number of 1-Boc-4-[methoxy(methyl)carbamoyl]piperidine is 139290-70-3. It also can be called as tert-Butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate and the IUPAC Name about this chemical is tert-butyl 4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate. It belongs to the pharmacetical.

Physical properties about 1-Boc-4-[methoxy(methyl)carbamoyl]piperidine are: (1)ACD/LogP: 1.42; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 3; (5)ACD/BCF (pH 7.4): 3; (6)ACD/KOC (pH 5.5): 85; (7)ACD/KOC (pH 7.4): 85; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 59.08Å2; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 70.745 cm3; (13)Molar Volume: 246.07 cm3; (14)Polarizability: 28.045x10-24cm3; (15)Surface Tension: 40.068 dyne/cm; (16)Enthalpy of Vaporization: 58.769 kJ/mol; (17)Boiling Point: 343.797 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CN(OC)C(=O)C1CCN(CC1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)11(16)14(4)18-5/h10H,6-9H2,1-5H3
(3)InChIKey: ITCQNWXLNZGEHP-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)11(16)14(4)18-5/h10H,6-9H2,1-5H3
(5)Std. InChIKey: ITCQNWXLNZGEHP-UHFFFAOYSA-N

Flash Point: 161.7°C
Usage:An intermediate in the production of IKK inhibitors, ERK inhibitors, p38 MAP kinase inhibitors and serotonin receptor antagonists
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