1-Piperazinecarboxylicacid, 4-(5-formyl-2-pyridinyl)-, 1,1-dimethylethyl ester supplier

Name
TERT-BUTYL 4-(5-FORMYLPYRID-2-YL)PIPERAZINE-1-CARBOXYLATE
EINECS
CAS No. 479226-10-3
Article Data3
CAS DataBase
Density 1.189 g/cm³
Solubility
Melting Point 126 °C
Formula C₁₅H₂₁N₃O₃
Boiling Point 460.8 °C at 760 mmHg
Molecular Weight 291.35
Flash Point 232.5 °C
Transport Information
Appearance
Safety 45-36/37-24/25
Risk Codes 25-20/21/22
Molecular Structure
Hazard Symbols T
Synonyms tert-Butyl 4-(5-formylpyridin-2-yl)piperazine-1-carboxylate;
PSA 62.74000
LogP 1.95410

1-Piperazinecarboxylicacid, 4-(5-formyl-2-pyridinyl)-, 1,1-dimethylethyl ester Specification

The 1-Piperazinecarboxylicacid, 4-(5-formyl-2-pyridinyl)-, 1,1-dimethylethyl ester, with the CAS registry number 479226-10-3, is also known as tert-Butyl 4-(5-formylpyridin-2-yl)piperazine-1-carboxylate. This chemical's molecular formula is C₁₅H₂₁N₃O₃ and molecular weight is 291.3455. What's more, it should be stored in condition of dry and cold.

Physical properties about 1-Piperazinecarboxylicacid, 4-(5-formyl-2-pyridinyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 1.24; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 4.49; (7)ACD/KOC (pH 5.5): 8.88; (8)ACD/KOC (pH 7.4): 97.91; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 62.74 Å²; (13)Index of Refraction: 1.564; (14)Molar Refractivity: 79.68 cm³; (15)Molar Volume: 244.8 cm³; (16)Polarizability: 31.58×10^-24cm³; (17)Surface Tension: 50.2 dyne/cm; (18)Density: 1.189 g/cm³; (19)Flash Point: 232.5 °C; (20)Enthalpy of Vaporization: 72.15 kJ/mol; (21)Boiling Point: 460.8 °C at 760 mmHg; (22)Vapour Pressure: 1.13E-08 mmHg at 25 °C; (23) Melting Point: 126 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)OC(=O)N1CCN(CC1)c2ncc(C=O)cc2
(2) InChI: InChI=1/C15H21N3O3/c1-15(2,3)21-14(20)18-8-6-17(7-9-18)13-5-4-12(11-19)10-16-13/h4-5,10-11H,6-9H2,1-3H3
(3) InChIKey: NETKWTAEPIGRLQ-UHFFFAOYAN

Product Name

TERT-BUTYL 4-(5-FORMYLPYRID-2-YL)PIPERAZINE-1-CARBOXYLATE

1-Piperazinecarboxylicacid, 4-(5-formyl-2-pyridinyl)-, 1,1-dimethylethyl ester Specification

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