Basic Information | Post buying leads | Suppliers |
Name |
1,2-Piperidinedicarboxylicacid, 4-oxo-, 1-(1,1-dimethylethyl) ester, (2S)- |
EINECS | N/A |
CAS No. | 198646-60-5 | Density | 1.258 g/cm3 |
PSA | 83.91000 | LogP | 0.97750 |
Solubility | N/A | Melting Point |
126-128℃ |
Formula | C11H17NO5 | Boiling Point | 403.618 °C at 760 mmHg |
Molecular Weight | 243.26 | Flash Point | 197.901 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26 | Risk Codes | 36 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
(S)-1-(Tert-butoxycarbonyl)-4-oxopiperidine-2-carboxylic acid; |
The 1,2-Piperidinedicarboxylicacid, 4-oxo-, 1-(1,1-dimethylethyl) ester, (2S)-, with the CAS registry number 198646-60-5, is also known as (S)-1-(Tert-butoxycarbonyl)-4-oxopiperidine-2-carboxylic acid. This chemical's molecular formula is C11H17NO5 and molecular weight is 243.2564. What's more, its systematic name is called 1-Tert-butoxycarbonyl-4-oxo-piperidine-2-carboxylic acid.
Physical properties about 1,2-Piperidinedicarboxylicacid, 4-oxo-, 1-(1,1-dimethylethyl) ester, (2S)- are: (1)ACD/LogP: 0.38; (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): 1.053; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 83.91 Å2; (11)Index of Refraction: 1.508; (12)Molar Refractivity: 57.678 cm3; (13)Molar Volume: 193.444 cm3; (14)Polarizability: 22.865×10-24 cm3; (15)Surface Tension: 50.03 dyne/cm; (16)Density: 1.258 g/cm3; (17)Flash Point: 197.901 °C; (18)Enthalpy of Vaporization: 71.869 kJ/mol; (19)Boiling Point: 403.618 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCC(=O)CC1C(=O)O
(2) InChI: InChI=1/C11H17NO5/c1-11(2,3)17-10(16)12-5-4-7(13)6-8(12)9(14)15/h8H,4-6H2,1-3H3,(H,14,15)
(3) InChIKey: GPBCBXYUAJQMQM-UHFFFAOYAG