Benzyl (3R)-3-aminopiperidine-1-carboxylate supplier

Name
(R)-3-AMINO-1-N-CBZ-PIPERIDINE
EINECS
CAS No. 1044560-96-4
Article Data3
CAS DataBase
Density 1.152 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₈N₂O₂
Boiling Point 367.235 °C at 760 mmHg
Molecular Weight 234.298
Flash Point 175.898 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-Benzyl 3-aminopiperidine-1-carboxylate;
PSA 55.56000
LogP 2.38450

Benzyl (3R)-3-aminopiperidine-1-carboxylate Specification

The Benzyl (3R)-3-aminopiperidine-1-carboxylate, with the CAS registry number 167423-93-0, is also known as (R)-Benzyl 3-aminopiperidine-1-carboxylate. This chemical's molecular formula is C₁₃H₁₈N₂O₂ and molecular weight is 234.29. What's more, its systematic name is Benzyl (3R)-3-amino-1-piperidinecarboxylate.

Physical properties of Benzyl (3R)-3-aminopiperidine-1-carboxylate are: (1)ACD/LogP: 1.325; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.74; (4)ACD/LogD (pH 7.4): -0.90; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.56 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 65.616 cm³; (15)Molar Volume: 203.402 cm³; (16)Polarizability: 26.012×10^-24cm³; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.152 g/cm³; (19)Flash Point: 175.898 °C; (20)Enthalpy of Vaporization: 61.375 kJ/mol; (21)Boiling Point: 367.235 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCc1ccccc1)N2CCC[C@@H](N)C2
(2)Std. InChI: InChI=1S/C13H18N2O2/c14-12-7-4-8-15(9-12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10,14H2/t12-/m1/s1
(3)Std. InChIKey: PBFBPDLWODIXHK-GFCCVEGCSA-N

Product Name

(R)-3-AMINO-1-N-CBZ-PIPERIDINE

Benzyl (3R)-3-aminopiperidine-1-carboxylate Specification

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