5-(3-Pyrrolidinyl)-1H-tetrazole supplier

Name
5-(Pyrrolidin-3-yl)-2H-tetrazole
EINECS
CAS No. 570424-05-4
Article Data3
CAS DataBase
Density 1.301 g/cm³
Solubility
Melting Point
Formula C₅H₉N₅
Boiling Point 335.37 °C at 760 mmHg
Molecular Weight 139.16
Flash Point 156.626 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(pyrrolidin-3-yl)-2H-tetrazole;
PSA 66.49000
LogP -0.39460

5-(3-Pyrrolidinyl)-1H-tetrazole Specification

The 2H-Tetrazole, 5-(3-pyrrolidinyl)-, with the CAS registry number of 570424-05-4, is also known as 5-(Pyrrolidin-3-yl)-2H-tetrazole. Its molecular formula is C₅H₉N₅ and molecular weight is 139.15846. What's more, its systematic name is 5-(Pyrrolidin-3-yl)-1H-tetrazole.

Physical properties about the 2H-Tetrazole, 5-(3-pyrrolidinyl)- are: (1)ACD/LogP: -0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 66.49 Å²; (11)Index of Refraction: 1.567; (12)Molar Refractivity: 34.946 cm³; (13)Molar Volume: 106.927 cm³; (14)Surface Tension: 69.217 dyne/cm; (15)Density: 1.301 g/cm³; (16)Flash Point: 156.626 °C; (17)Enthalpy of Vaporization: 57.842 kJ/mol; (18)Boiling Point: 335.37 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nnc(n1)C2CNCC2
(2) InChI: InChI=1/C5H9N5/c1-2-6-3-4(1)5-7-9-10-8-5/h4,6H,1-3H2,(H,7,8,9,10)
(3) InChIKey: VYQMPDFYNWSLGY-UHFFFAOYAH

Product Name

5-(Pyrrolidin-3-yl)-2H-tetrazole

5-(3-Pyrrolidinyl)-1H-tetrazole Specification

Related Products

Hot Products