tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate supplier

Name
3-Amino-N-Boc-9-azabicyclo[3.3.1]nonane
EINECS
CAS No. 202797-03-3
Density 1.061 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₄N₂O₂
Boiling Point 331.1 °C at 760 mmHg
Molecular Weight 240.34
Flash Point 154 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester;
PSA 55.56000
LogP 2.90390

tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate Specification

The tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate with the CAS number 202797-03-3 is also called 9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester. Its molecular formula is C₁₃H₂₄N₂O₂. The product category is Amines and Anilines.

The properties of the chemical are: (1)ACD/LogP: 1.65; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1.86; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 55.56Å²; (11)Index of Refraction: 1.502; (12)Molar Refractivity: 66.88 cm³; (13)Molar Volume: 226.5 cm³; (14)Polarizability: 26.51×10^-24cm³; (15)Surface Tension: 38.2 dyne/cm; (16)Enthalpy of Vaporization: 57.37 kJ/mol; (17)Vapour Pressure: 0.000159 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N2C1CCCC2CC(N)C1
(2)InChI: InChI=1/C13H24N2O2/c1-13(2,3)17-12(16)15-10-5-4-6-11(15)8-9(14)7-10/h9-11H,4-8,14H2,1-3H3
(3)InChIKey: WVEPNZWEHKIHOM-UHFFFAOYAZ

Product Name

3-Amino-N-Boc-9-azabicyclo[3.3.1]nonane

tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate Specification

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