-
Name
1-Boc-4-[methoxy(methyl)carbamoyl]piperidine
- EINECS
- CAS No. 139290-70-3
- Article Data104
- CAS DataBase
- Density 1.107 g/cm3
- Solubility
- Melting Point 71.0 to 75.0 °C
- Formula C13H24N2O4
- Boiling Point 343.797 °C at 760 mmHg
- Molecular Weight 272.345
- Flash Point 161.723 °C
- Transport Information
- Appearance Pale yellow oil
- Safety
- Risk Codes 22
-
Molecular Structure
- Hazard Symbols Xn
- 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;
- PSA 59.08000
- LogP 1.59120
1-Boc-4-[methoxy(methyl)carbamoyl]piperidine 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
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