Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
N-(tert-Butoxycarbonyl)-L-serine beta-lactone |
EINECS | N/A |
CAS No. | 98541-64-1 | Density | 1.18 g/cm3 |
PSA | 64.63000 | LogP | 0.82740 |
Solubility | N/A | Melting Point |
117-119 °C |
Formula | C8H13NO4 | Boiling Point | 319 °C at 760 mmHg |
Molecular Weight | 187.196 | Flash Point | 146.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Carbamicacid, (2-oxo-3-oxetanyl)-, 1,1-dimethylethyl ester, (S)-;Carbamic acid,[(3S)-2-oxo-3-oxetanyl]-, 1,1-dimethylethyl ester (9CI);(S)-3-(tert-Butoxycarbonylamino)-2-oxooxetane;(S)-N-(tert-Butoxycarbonyl)serine-b-lactone;N-(tert-Butoxycarbonyl)-L-serine b-lactone;N-(tert-Butyloxycarbonyl)-L-serine b-lactone; |
Article Data | 39 |
The N-(tert-Butoxycarbonyl)-L-serine beta-lactone with the CAS number 98541-64-1 is also called Carbamic acid,N-[(3S)-2-oxo-3-oxetanyl]-, 1,1-dimethylethyl ester. The systematic name is tert-butyl [(3S)-2-oxooxetan-3-yl]carbamate. Its molecular formula is C8H13NO4. This chemical belongs to the following product categories: (1)Amines (Chiral); (2)Chiral Building Blocks; (3)Oxetanes; (4)Simple 4-Membered Ring Compounds; (5)Synthetic Organic Chemistry; (6)Amino Acids & Derivatives; (7)Inhibitors. It is an important lactone inhibitor.
The properties of the chemical are: (1)ACD/LogP: -0.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.39; (4)ACD/LogD (pH 7.4): -0.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.67; (8)ACD/KOC (pH 7.4): 14.66; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 44.38 cm3; (15)Molar Volume: 158 cm3; (16)Polarizability: 17.59×10-24cm3; (17)Surface Tension: 38.7 dyne/cm; (18)Enthalpy of Vaporization: 56.05 kJ/mol; (19)Vapour Pressure: 0.000349 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H]1C(=O)OC1
(2)InChI: InChI=1/C8H13NO4/c1-8(2,3)13-7(11)9-5-4-12-6(5)10/h5H,4H2,1-3H3,(H,9,11)/t5-/m0/s1
(3)InChIKey: HRJDEHQWXAPGBG-YFKPBYRVBD