CAS No.174486-93-2,tert-Butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	174486-93-2
Name:	tert-Butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
Article Data:	40

Formula:	C₁₂H₂₂N₂O₂
Molecular Weight:	226.31528
Synonyms:	3-Amino-8-Boc-8-azabicyclo[3.2.1]octane;8-Boc-3-aMino-8-azabicyclo[3.2.1]octane;3-AMino-8-aza-bicyclo[3.2.1]octane-8-carboxylic;tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-Butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate 95+%;3-Amino-8-aza-bicyclo[3.2.1]octane-8-carboxylic acid tert-butyl ester;8-Azabicyclo[3.2.1]octane-8-carboxylic acid, 3-amino-, 1,1-dimethylethyl ester
EINECS:	942-990-5
Density:	1.084g/cm³
Boiling Point:	313.215 °C at 760 mmHg
Flash Point:	143.227 °C
PSA:	55.56000
LogP:	2.51380

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Specification

The tert-Butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate, with CAS registry number 174486-93-2, has the systematic name of tert-butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate. And the chemical formula of this chemical is C₁₂H₂₂N₂O₂.

Physical properties of tert-Butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate: (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; (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)N2C1CCC2CC(N)C1
(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
(3)InChIKey: NZJKEPNCNBWESN-UHFFFAOYAT
(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
(5)Std. InChIKey: NZJKEPNCNBWESN-UHFFFAOYSA-N