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(S)-2-Formyl-1-piperidinecarboxylic acid tert-butyl ester

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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 Molecular Structure of 150521-32-7 ((S)-2-FORMYL-PIPERIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER) 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

(S)-2-Formyl-1-piperidinecarboxylic acid tert-butyl ester Specification

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

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