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tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate (202797-03-3)

Identification
Name:tert-Butyl 3-amino-9-azabicyclo[3.3.1]nonane-9-carboxylate
Synonyms:9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester;
CAS:202797-03-3
Molecular Formula: C13H24N2O2
Molecular Weight: 240.34
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
Molecular Structure: (C13H24N2O2) 9-Azabicyclo[3.3.1]nonane-9-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester;
Properties
Density:1.061 g/cm3
Refractive index:1.502
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

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