tert-Butyl 4-(6-chloropyridazin-3-yl)piperazine-1-carboxylate supplier

Name
4-(6-CHLORO-PYRIDAZIN-3-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
EINECS
CAS No. 492431-11-5
Article Data12
CAS DataBase
Density 1.253 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₉ClN₄O₂
Boiling Point 472.5 °C at 760 mmHg
Molecular Weight 298.772
Flash Point 239.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(6-Chloropyridazin-3-yl)piperazine-1-carboxylicacid tert-butyl ester;tert-Butyl4-(6-Chloro-3-pyridazinyl)-1-piperazinecarboxylate;1-Boc-4-(6-chloropyridazin-3-yl)piperazine;
PSA 58.56000
LogP 2.19000

tert-Butyl 4-(6-chloropyridazin-3-yl)piperazine-1-carboxylate Specification

This chemical is called tert-Butyl 4-(6-chloropyridazin-3-yl)piperazine-1-carboxylate, and it can also be named as 1-Piperazinecarboxylicacid, 4-(6-chloro-3-pyridazinyl)-, 1,1-dimethylethyl ester. With the molecular formula of C₁₃H₁₉ClN₄O₂, its molecular weight is 298.77. The CAS registry number of this chemical is 492431-11-5.

Other characteristics of the tert-Butyl 4-(6-chloropyridazin-3-yl)piperazine-1-carboxylate can be summarised as followings: (1)ACD/LogP: 1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 4.3; (6)ACD/BCF (pH 7.4): 5.01; (7)ACD/KOC (pH 5.5): 94.51; (8)ACD/KOC (pH 7.4): 110.31; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 58.56 Å²; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 75.91 cm³; (15)Molar Volume: 238.3 cm³; (16)Polarizability: 30.09×10^-24cm³; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.253 g/cm³; (19)Flash Point: 239.5 °C; (20)Enthalpy of Vaporization: 73.54 kJ/mol; (21)Boiling Point: 472.5 °C at 760 mmHg; (22)Vapour Pressure: 4.27E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CC(C)(C)OC(=O)N1CCN(CC1)c2nnc(Cl)cc2
2.InChI: InChI=1/C13H19ClN4O2/c1-13(2,3)20-12(19)18-8-6-17(7-9-18)11-5-4-10(14)15-16-11/h4-5H,6-9H2,1-3H3
3.InChIKey: MIXODQAAOQHDTG-UHFFFAOYAQ

Product Name

4-(6-CHLORO-PYRIDAZIN-3-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER

tert-Butyl 4-(6-chloropyridazin-3-yl)piperazine-1-carboxylate Specification

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