-
Name
1-Boc-3-[methoxy(methyl)carbamoyl]piperidine
- EINECS
- CAS No. 189442-78-2
- Article Data21
- CAS DataBase
- Density 1.106 g/cm3
- Solubility
- Melting Point
- Formula C13H24N2O4
- Boiling Point 343.797 °C at 760 mmHg
- Molecular Weight 272.345
- Flash Point 161.723 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-(N-Methoxy-N-methylcarbamoyl)piperidine-1-carboxylicacid tert-butyl ester;tert-Butyl3-[[methoxy(methyl)amino]carbonyl]-1-piperidinecarboxylate;
- PSA 59.08000
- LogP 1.59120
1-Boc-3-[methoxy(methyl)carbamoyl]piperidine Specification
The 1-Boc-3-[methoxy(methyl)carbamoyl]piperidine is an organic compound with the formula C13H24N2O4. The IUPAC name of this chemical is tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate. With the CAS registry number 189442-78-2, it is also named as 1-Piperidinecarboxylic acid, 3-[(methoxymethylamino)carbonyl]-, 1,1-dimethylethyl ester. The product's category is Pharmacetical.
Physical properties about 1-Boc-3-[methoxy(methyl)carbamoyl]piperidine are: (1)ACD/LogP: 1.48; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 4; (5)ACD/BCF (pH 7.4): 4; (6)ACD/KOC (pH 5.5): 90; (7)ACD/KOC (pH 7.4): 90; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 59.08 Å2; (11)Index of Refraction: 1.487; (12)Molar Refractivity: 70.745 cm3; (13)Molar Volume: 246.07 cm3; (14)Polarizability: 28.045×10-24cm3; (15)Surface Tension: 40.068 dyne/cm; (16)Density: 1.107 g/cm3; (17)Flash Point: 161.723 °C; (18)Enthalpy of Vaporization: 58.769 kJ/mol; (19)Boiling Point: 343.797 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: CN(OC)C(=O)C1CN(CCC1)C(=O)OC(C)(C)C
(2)InChI: InChI=1/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-7-10(9-15)11(16)14(4)18-5/h10H,6-9H2,1-5H3
(3)InChIKey: NQGXVXHYGRAABB-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-7-10(9-15)11(16)14(4)18-5/h10H,6-9H2,1-5H3
(5)Std. InChIKey: NQGXVXHYGRAABB-UHFFFAOYSA-N
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