-
Name
1-(2-Thiazolyl)piperazine
- EINECS 255-743-5
- CAS No. 42270-37-1
- Article Data23
- CAS DataBase
- Density 1.205 g/cm3
- Solubility
- Melting Point
- Formula C7H11N3S
- Boiling Point 293.1 °C at 760 mmHg
- Molecular Weight 169.25
- Flash Point 131.1 °C
- Transport Information
- Appearance Colorless to pale yellow liquid
- Safety
- Risk Codes 22
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 4-(1,3-Thiazol-2-yl)piperazine;1-Thiazol-2-yl-piperazine;
- PSA 56.40000
- LogP 0.94650
1-(2-Thiazolyl)piperazine Specification
The 1-(2-Thiazolyl)piperazine with cas registry number of 42270-37-1, belongs to the following product categories: (1)PIPERIDINE; (2)pharmacetical; (3)piperazines. It has the systematic name of 1-(1,3-thiazol-2-yl)piperazine. And its IUPAC name is 2-piperazin-1-yl-1,3-thiazole.
Physical properties about this chemical are: (1)ACD/LogP: -0.20; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 47.61 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 46.28 cm3; (9)Molar Volume: 140.4 cm3; (10)Polarizability: 18.34×10-24cm3; (11)Surface Tension: 47.8 dyne/cm; (12)Enthalpy of Vaporization: 53.26 kJ/mol; (13)Vapour Pressure: 0.00176 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: n1ccsc1N2CCNCC2;
(2)InChI: InChI=1/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2;
(3)InChIKey: WQFWIVTXNKRNJZ-UHFFFAOYAE;
(4)Std. InChI: InChI=1S/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2;
(5)Std. InChIKey: WQFWIVTXNKRNJZ-UHFFFAOYSA-N
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