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744183-20-8

Basic Information
CAS No.: 744183-20-8
Name: N-Boc-exo-3-aminotropane
Article Data: 12
Molecular Structure:
Molecular Structure of 744183-20-8 (N-Boc-exo-3-aminotropane)
Formula: C12H22N2O2
Molecular Weight: 226.319
Synonyms: (3-exo)-3-Amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester;N-Boc-exo-3-aminotropane;exo-3-Amino-8-Boc-8-azabicyclo[3.2.1]octane;exo-3-Amino-8-Boc-8-azabi...
Density: 1.084g/cm3
Boiling Point: 313.215 °C at 760 mmHg
Flash Point: 143.227 °C
PSA: 41.57000
LogP: 2.46510
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Specification

The N-Boc-exo-3-aminotropane, with CAS registry number 744183-20-8, has the systematic name of tert-butyl (1S)-3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate. Besides this, it is also called (3-exo)-3-Amino-8-azabicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester. And the chemical formula of this chemical is C12H22N2O2.

Physical properties of N-Boc-exo-3-aminotropane: (1)ACD/LogP: 1.69; (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): 1.789; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 55.56 Å2; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 62.269 cm3; (13)Molar Volume: 208.766 cm3; (14)Polarizability: 24.685×10-24cm3; (15)Surface Tension: 39.501 dyne/cm; (16)Density: 1.084 g/cm3; (17)Flash Point: 143.227 °C; (18)Enthalpy of Vaporization: 55.427 kJ/mol; (19)Boiling Point: 313.215 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)[N@@]1[C@H]2CCC1C[C@H](C2)N
(2)InChI: InChI=1/C12H22N2O2/c1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9/h8-10H,4-7,13H2,1-3H3/t8-,9-,10?/m0/s1
(3)InChIKey: NZJKEPNCNBWESN-XMCUXHSSBX
(4)Std. InChI: InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-9-4-5-10(14)7-8(13)6-9/h8-10H,4-7,13H2,1-3H3/t8-,9-,10?/m0/s1
(5)Std. InChIKey: NZJKEPNCNBWESN-XMCUXHSSSA-N