-
Name
tert-Butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate
- EINECS 942-990-5
- CAS No. 174486-93-2
- Article Data40
- CAS DataBase
- Density 1.084g/cm3
- Solubility
- Melting Point
- Formula C12H22N2O2
- Boiling Point 313.215 °C at 760 mmHg
- Molecular Weight 226.31528
- Flash Point 143.227 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- 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
- PSA 55.56000
- LogP 2.51380
tert-Butyl 3-amino-8-azabicyclo[3.2.1]octane-8-carboxylate 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
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