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Basic Information |
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Cas Database |
Name |
(1alpha,5alpha,6alpha)-3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-(tert-butyl) ester |
EINECS | N/A |
CAS No. | 927679-54-7 | Density | 1.276 g/cm3 |
PSA | 66.84000 | LogP | 1.12180 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H17NO4 | Boiling Point | 355.9 °C at 760 mmHg |
Molecular Weight | 227.26 | Flash Point | 169 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure |
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Hazard Symbols | N/A |
Synonyms |
(1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid; |
Article Data | 4 |
The CAS register number of (1alpha,5alpha,6alpha)-3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-(tert-butyl) ester is 927679-54-7. It also can be called as (1R,5S,6R)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid and the systematic name about this chemical is (1R,5S)-3-tert-butoxycarbonyl-3-azabicyclo[3.1.0]hexane-6-carboxylic acid.
Physical properties about (1alpha,5alpha,6alpha)-3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-(tert-butyl) ester are: (1)ACD/LogP: 0.33; (2)#H bond acceptors: 5; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 66.84Å2; (6)Index of Refraction: 1.537; (7)Molar Refractivity: 55.59 cm3; (8)Molar Volume: 177.9 cm3; (9)Polarizability: 22.04x10-24cm3; (10)Surface Tension: 51 dyne/cm; (11)Enthalpy of Vaporization: 66.03 kJ/mol; (12)Boiling Point: 355.9 °C at 760 mmHg; (13)Vapour Pressure: 5.03E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CC2C(C1)C2C(=O)O
(2)InChI: InChI=1/C11H17NO4/c1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7+,8+
(3)InChIKey: GYEQQDCMLKKYGG-JIGDXULJBD
(4)Std. InChI: InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-4-6-7(5-12)8(6)9(13)14/h6-8H,4-5H2,1-3H3,(H,13,14)/t6-,7+,8+
(5)Std. InChIKey: GYEQQDCMLKKYGG-JIGDXULJSA-N