1-N-Cbz-3-aminopiperidine supplier

Name
1-N-Cbz-3-aminopiperidine
EINECS
CAS No. 711002-74-3
Article Data3
CAS DataBase
Density 1.151 g/cm³
Solubility
Melting Point 168-170 °C
Formula C₁₃H₁₈N₂O₂
Boiling Point 367.2 °C at 760 mmHg
Molecular Weight 234.298
Flash Point 175.9 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 22-36/37/38
Molecular Structure
Hazard Symbols Xn
Synonyms 3-Aminopiperidine-1-carboxylic acid benzyl ester;Benzyl 3-aminopiperidine-1-carboxylate;3-Amino-1-(benzyloxycarbonyl)piperidine;
PSA 55.56000
LogP 2.38450

1-N-Cbz-3-aminopiperidine Specification

The 1-N-Cbz-3-aminopiperidine is an organic compound with the formula C₁₃H₁₈N₂O₂. The systematic name of this chemical is benzyl 3-aminopiperidine-1-carboxylate. With the CAS registry number 711002-74-3, it is also named as 3-Amino-piperidine-1-carboxylic acid benzyl ester. The product's categories are Amines; Pyrans, Piperidines & Piperazines; Piperaizine. In addition, the molecular weight is 234.29.

The other characteristics of 1-N-Cbz-3-aminopiperidine can be summarized as: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.74; (4)ACD/LogD (pH 7.4): -0.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 32.78 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 65.61 cm³; (15)Molar Volume: 203.4 cm³; (16)Polarizability: 26.01×10^-24 cm³; (17)Surface Tension: 47.5 dyne/cm; (18)Density: 1.151 g/cm³; (19)Flash Point: 175.9 °C; (20)Enthalpy of Vaporization: 61.37 kJ/mol; (21)Boiling Point: 367.2 °C at 760 mmHg; (22)Vapour Pressure: 1.38E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCc1ccccc1)N2CCCC(N)C2
2. InChI:InChI=1/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
3. InChIKey:PBFBPDLWODIXHK-UHFFFAOYAZ
4. 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
5. Std. InChIKey:PBFBPDLWODIXHK-UHFFFAOYSA-N

Product Name

1-N-Cbz-3-aminopiperidine

1-N-Cbz-3-aminopiperidine Specification

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