Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Benzyl (3R)-3-aminopiperidine-1-carboxylate |
EINECS | N/A |
CAS No. | 1044560-96-4 | Density | 1.152 g/cm3 |
PSA | 55.56000 | LogP | 2.38450 |
Solubility | N/A | Melting Point |
N/A |
Formula | C13H18N2O2 | Boiling Point | 367.235 °C at 760 mmHg |
Molecular Weight | 234.298 | Flash Point | 175.898 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(R)-Benzyl 3-aminopiperidine-1-carboxylate; |
Article Data | 3 |
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