Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(S)-2-Formyl-1-piperidinecarboxylic acid tert-butyl ester |
EINECS | N/A |
CAS No. | 150521-32-7 | Density | 1.115 g/cm3 |
PSA | 46.61000 | LogP | 1.91280 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H19NO3 | Boiling Point | 295.431 °C at 760 mmHg |
Molecular Weight | 213.277 | Flash Point | 132.472 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-Piperidinecarboxylicacid, 2-formyl-, 1,1-dimethylethyl ester, (S)-;tert-Butyl (S)-2-formylpiperidine-1-carboxylate;(S)-2-Formyl-1-piperidinecarboxylic acid tert-butyl ester; |
Article Data | 29 |
The CAS registry number of (S)-2-Formyl-1-piperidinecarboxylic acid tert-butyl ester is 150521-32-7. The IUPAC name is tert-butyl (2S)-2-formylpiperidine-1-carboxylate. In addition, the molecular formula is C11H19NO3 and molecular weight is 213.27.
Physical properties about (S)-2-Formyl-1-piperidinecarboxylic acid tert-butyl ester are: ((1)ACD/LogP: 1.55; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 5; (6)ACD/KOC (pH 5.5): 115; (7)ACD/KOC (pH 7.4): 115; (8)#H bond acceptors: 4 ; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 46.61 Å2; (11)Index of Refraction: 1.519; (12)Molar Refractivity: 58.049 cm3; (13)Molar Volume: 191.274 cm3; (14)Polarizability: 23.012 ×10-24cm3; (15)Surface Tension: 45.225 dyne/cm; (16)Density: 1.115 g/cm3; (17)Flash Point: 132.472 °C; (18)Enthalpy of Vaporization: 53.514 kJ/mol; (19)Boiling Point: 295.431 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES:CC(C)(C)OC(=O)N1CCCC[C@H]1C=O
(2)InChI:InChI=1/C11H19NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(12)8-13/h8-9H,4-7H2,1-3H3/t9-/m0/s1
(3)InChIKey:KZNDGAGWQPGYTB-VIFPVBQEBX