1-Boc-2-piperidinecarboxaldehyde supplier

Name
tert-butyl 2-formylpiperidine-1-carboxylate
EINECS
CAS No. 132910-78-2
Article Data71
CAS DataBase
Density 1.115 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₉NO₃
Boiling Point 295.431 °C at 760 mmHg
Molecular Weight 213.2735
Flash Point 132.472 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms tert-Butyl 2-formylpiperidine-1-carboxylate;
PSA
LogP

1-Boc-2-piperidinecarboxaldehyde Specification

The 1-Boc-2-piperidinecarboxaldehyde, with the CAS registry number 132910-78-2, is also known as 1-Piperidinecarboxylic acid, 2-formyl-, 1,1-dimethylethyl ester. This chemical's molecular formula is C₁₁H₁₉NO₃ and molecular weight is 213.2735. What's more, its systematic name is called tert-Butyl 2-formylpiperidine-1-carboxylate.

Physical properties about 1-Boc-2-piperidinecarboxaldehyde are: (1)ACD/LogP: 1.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 5; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 115; (8)ACD/KOC (pH 7.4): 115; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 58.049 cm³; (15)Molar Volume: 191.274 cm³; (16)Surface Tension: 45.225 dyne/cm; (17)Density: 1.115 g/cm³; (18)Flash Point: 132.472 °C; (19)Enthalpy of Vaporization: 53.514 kJ/mol; (20)Boiling Point: 295.431 °C at 760 mmHg; (21)Vapour Pressure: 0.002 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N1C(C=O)CCCC1
(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
(3) InChIKey: KZNDGAGWQPGYTB-UHFFFAOYAD

Product Name

tert-butyl 2-formylpiperidine-1-carboxylate

1-Boc-2-piperidinecarboxaldehyde Specification

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