4-Piperidinecarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester supplier

Name
4-N-BOC-AMINO-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 115655-44-2
Article Data2
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₂N₂O₄
Boiling Point 358.6 °C at 760 mmHg
Molecular Weight 258.318
Flash Point 170.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(tert-Butoxycarbonylamino)piperidine-4-carboxylicacid methyl ester;
PSA 76.66000
LogP 1.52600

4-Piperidinecarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester Specification

This chemical is called 4-Piperidinecarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, and its IUPAC name is Methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate. With the molecular formula of C₁₂H₂₂N₂O₄, its molecular weight is 258.31. The CAS registry number of this chemical is 115655-44-2.

Other characteristics of 4-Piperidinecarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester can be summarised as followings: (1)ACD/LogP: 1.49; (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): 4.53; (7)#H bond acceptors: 6; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 76.66 Å²; (11)Index of Refraction: 1.488; (12)Molar Refractivity: 66.59 cm³; (13)Molar Volume: 230.9 cm³; (14)Polarizability: 26.4×10^-24cm³; (15)Surface Tension: 40.1 dyne/cm; (16)Density: 1.11 g/cm³; (17)Flash Point: 170.7 °C; (18)Enthalpy of Vaporization: 60.41 kJ/mol; (19)Boiling Point: 358.6 °C at 760 mmHg; (20)Vapour Pressure: 2.52E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: COC(=O)C1(NC(=O)OC(C)(C)C)CCNCC1
2.InChI: InChI=1/C12H22N2O4/c1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12/h13H,5-8H2,1-4H3,(H,14,16)
3.InChIKey: XWBFIPVPQLAHMA-UHFFFAOYAJ
4.Std. InChI: InChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-12(9(15)17-4)5-7-13-8-6-12/h13H,5-8H2,1-4H3,(H,14,16)
5.Std. InChIKey: XWBFIPVPQLAHMA-UHFFFAOYSA-N

Product Name

4-N-BOC-AMINO-PIPERIDINE-4-CARBOXYLIC ACID METHYL ESTER

4-Piperidinecarboxylicacid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester Specification

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