N-Boc-2-piperidinepropionic acid supplier

Name
2-(2-Carboxyethyl)piperidine-1-carboxylic acid tert-butyl ester
EINECS
CAS No. 669713-96-6
Article Data2
CAS DataBase
Density 1.102 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₃NO₄
Boiling Point 386.4 °C at 760 mmHg
Molecular Weight 257.33
Flash Point 187.5 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms 3-[1-(tert-Butoxycarbonyl)piperidin-2-yl]propanoicacid;2-(2-Carboxyethyl)piperidine-1-carboxylic acid tert-butyl ester;
PSA 66.84000
LogP 2.57870

N-Boc-2-piperidinepropionic acid Specification

The CAS register number of N-Boc-2-piperidinepropionic acid is 669713-96-6. It also can be called as 2-(2-Carboxyethyl)piperidine-1-carboxylic acid tert-butyl ester and the IUPAC name about this chemical is 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid. The molecular formula about this chemical is C₁₃H₂₃NO₄and molecular weight is 257.33. It belongs to the Pharmacetical.

Physical properties about N-Boc-2-piperidinepropionic acid are: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): 1.01; (3)ACD/LogD (pH 7.4): -0.78; (4)ACD/BCF (pH 5.5): 2.22; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 36.51; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 55.84Å²; (12)Index of Refraction: 1.485; (13)Molar Refractivity: 66.96 cm³; (14)Molar Volume: 233.4 cm³; (15)Polarizability: 26.54x10^-24cm³; (16)Surface Tension: 40.6 dyne/cm; (17)Enthalpy of Vaporization: 69.74 kJ/mol; (18)Boiling Point: 386.4 °C at 760 mmHg; (19)Vapour Pressure: 4.83E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1C(CCCC1)CCC(=O)O
(2)InChI: InChI=1/C13H23NO4/c1-13(2,3)18-12(17)14-9-5-4-6-10(14)7-8-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
(3)InChIKey: BRQMDBOVDLUBAI-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-9-5-4-6-10(14)7-8-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)
(5)Std. InChIKey: BRQMDBOVDLUBAI-UHFFFAOYSA-N

Product Name

2-(2-Carboxyethyl)piperidine-1-carboxylic acid tert-butyl ester

N-Boc-2-piperidinepropionic acid Specification

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