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

Name
TERT-BUTYL 4-(5-IODOPYRID-2-YL)PIPERAZINE-1-CARBOXYLATE
EINECS
CAS No. 497915-42-1
Article Data3
CAS DataBase
Density 1.524 g/cm³;
Solubility
Melting Point 102 °C
Formula C₁₄H₂₀IN₃O₂
Boiling Point 457.5 °C at 760 mmHg
Molecular Weight 389.236
Flash Point 230.5 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols Xi,T
Synonyms 1-Boc-4-(5-iodopyridin-2-yl)piperazine;
PSA 45.67000
LogP 2.74620

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

The 1-Piperazinecarboxylicacid, 4-(5-iodo-2-pyridinyl)-, 1,1-dimethylethyl ester, with the CAS registry number 497915-42-1, is also known as 1-Boc-4-(5-iodopyridin-2-yl)piperazine. It belongs to the product categorie of Pharmacetical. This chemical's molecular formula is C₁₄H₂₀IN₃O₂ and molecular weight is 389.232. What's more, both its IUPAC name and systematic name are the same which is called Tert-butyl 4-(5-iodopyridin-2-yl)piperazine-1-carboxylate. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. In addition, it should be stored in condition of inclosed, dry and cold.

Physical properties about 1-Piperazinecarboxylicacid, 4-(5-iodo-2-pyridinyl)-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.78; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 45.67 Å²; (7)Index of Refraction: 1.587; (8)Molar Refractivity: 85.83 cm³; (9)Molar Volume: 255.2 cm³; (10)Polarizability: 34.02×10^-24cm³; (11)Surface Tension: 49.9 dyne/cm; (12)Density: 1.524 g/cm³; (13)Flash Point: 230.5 °C; (14)Enthalpy of Vaporization: 71.76 kJ/mol; (15)Boiling Point: 457.5 °C at 760 mmHg; (16)Vapour Pressure: 1.49E-08 mmHg at 25 °C; (17)Melting Point: 102 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OC(C)(C)C)N2CCN(c1ncc(I)cc1)CC2
(2) InChI: InChI=1/C14H20IN3O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-5-4-11(15)10-16-12/h4-5,10H,6-9H2,1-3H3
(3) InChIKey: RJHWOWJRQNENIC-UHFFFAOYAU

Product Name

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

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

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