Methyl 1-N-Boc-4-piperidineacetate supplier

Name
METHYL 1-BOC-4-PIPERIDINEACETATE
EINECS
CAS No. 175213-46-4
Article Data18
CAS DataBase
Density 1.062 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₃NO₄
Boiling Point 323.1 °C at 760 mmHg
Molecular Weight 257.33
Flash Point 149.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-((Methoxycarbonyl)methyl)piperidine-1-carboxylicacid tert-butyl ester;tert-Butyl 4-(2-methoxy-2-oxo-ethyl)piperidine-1-carboxylate;
PSA 55.84000
LogP 2.13450

Methyl 1-N-Boc-4-piperidineacetate Specification

The Methyl 1-N-Boc-4-piperidineacetate is an organic compound with the formula C₁₃H₂₃NO₄. The IUPAC name of this chemical is tert-butyl 4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate. With the CAS registry number 175213-46-4, it is also named as N-Boc-4-piperidineacetic acid methyl ester. The product's categories are Amines; Blocks; Carboxes; Pharmacetical.

The other characteristics of Methyl 1-N-Boc-4-piperidineacetate can be summarized as: (1)ACD/LogP: 1.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.78; (4)ACD/LogD (pH 7.4): 1.78; (5)ACD/BCF (pH 5.5): 13.26; (6)ACD/BCF (pH 7.4): 13.26; (7)ACD/KOC (pH 5.5): 221.41; (8)ACD/KOC (pH 7.4): 221.41; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Index of Refraction: 1.466; (13)Molar Refractivity: 67.17 cm³; (14)Molar Volume: 242.2 cm³; (15)Polarizability: 26.62×10^-24 cm³; (16)Surface Tension: 35.8 dyne/cm; (17)Enthalpy of Vaporization: 56.5 kJ/mol; (18)Vapour Pressure: 0.000267 mmHg at 25°C; (19)Rotatable Bond Count: 5; (20)Exact Mass: 257.162708; (21)MonoIsotopic Mass: 257.162708; (22)Topological Polar Surface Area: 55.8; (23)Heavy Atom Count: 18; (24)Complexity: 301.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)(C)C)N1CCC(CC1)CC(=O)OC
2. InChI:InChI=1/C13H23NO4/c1-13(2,3)18-12(16)14-7-5-10(6-8-14)9-11(15)17-4/h10H,5-9H2,1-4H3
3. InChIKey:ADFSCQGCEAKLOE-UHFFFAOYAI
4. Std. InChI:InChI=1S/C13H23NO4/c1-13(2,3)18-12(16)14-7-5-10(6-8-14)9-11(15)17-4/h10H,5-9H2,1-4H3
5. Std. InChIKey:ADFSCQGCEAKLOE-UHFFFAOYSA-N

Product Name

METHYL 1-BOC-4-PIPERIDINEACETATE

Methyl 1-N-Boc-4-piperidineacetate Specification

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