exo-3-Boc-aminotropane supplier

Name
exo-3-Boc-aminotropane
EINECS
CAS No. 132234-68-5
Article Data6
CAS DataBase
Density 1.06 g/cm³
Solubility
Melting Point
Formula C₁₂H₂₂N₂O₂
Boiling Point 333.8 °C at 760 mmHg
Molecular Weight 226.319
Flash Point 155.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carbamicacid, (3-exo)-8-azabicyclo[3.2.1]oct-3-yl-, 1,1-dimethylethyl ester (9CI);Carbamic acid, 8-azabicyclo[3.2.1]oct-3-yl-, 1,1-dimethylethyl ester, exo-;exo-3-Boc-aminotropane;
PSA 50.36000
LogP 2.51380

exo-3-Boc-aminotropane Specification

The IUPAC name of exo-3-Boc-aminotropane is tert-butyl N-(8-azabicyclo[3.2.1]octan-3-yl)carbamate. With the CAS registry number 132234-68-5, it is also named as N-(3-exo)-8-Azabicyclo[3.2.1]oct-3-ylcarbamic acid tert-butyl ester. The product's category is pharmaceutical intermediates. Its molecular formula is C₁₂H₂₂N₂O₂ and its molecular weight is 226.32.

The other characteristics of exo-3-Boc-aminotropane can be summarized as: (1)ACD/LogP: 2.13 ; (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 ; (7)H bond acceptors: 4 ; (8)H bond donors: 1 ; (9)Freely Rotating Bonds: 3; (10)Index of Refraction: 1.51 ; (11)Molar Refractivity: 67.48 cm³ ; (12)Molar Volume: 225.4 cm³ ; (13)Surface Tension: 38.5 dyne/cm ; (14)Density: 1.06 g/cm³ ; (15)Flash Point: 155.7 °C ; (16)Enthalpy of Vaporization: 57.67 kJ/mol ; (17)Boiling Point: 333.8 °C at 760 mmHg ; (18)Vapour Pressure: 0.000133 mmHg at 25 °C.

People can use the following data to convert to the molecule structure:
(1)SMILES:CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2C;
(2)InChI:InChI=1/C13H24N2O2/c1-13(2,3)17-12(16)14-9-7-10-5-6-11(8-9)15(10)4/h9-11H,5-8H2,1-4H3,(H,14,16)/t9-,10-,11+; (3)InChIKey:HENUDNYKZHNMCC-RTCCRHLQBM;
(4)Std. InChI:InChI=1S/C13H24N2O2/c1-13(2,3)17-12(16)14-9-7-10-5-6-11(8-9)15(10)4/h9-11H,5-8H2,1-4H3,(H,14,16)/t9-,10-,11+;
(5)Std. InChIKey:HENUDNYKZHNMCC-RTCCRHLQSA-N.

Product Name

exo-3-Boc-aminotropane

exo-3-Boc-aminotropane Specification

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