Pyrimido[4,5-e]-1,2,3,4-tetrazine (9CI) supplier

Name
Pyrimido[4,5-e]-1,2,3,4-tetrazine (9CI)
EINECS
CAS No. 6133-70-6
Density 1.618 g/cm³
Solubility
Melting Point
Formula C₄H₂N₆
Boiling Point 326.657 °C at 760 mmHg
Molecular Weight 134.10
Flash Point 166.842 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrimido[4,5-e]-v-tetrazine (7CI,8CI);1,2,3,4,5,7-Hexaazanaphthalene;
PSA 77.34000
LogP -0.79020

Pyrimido[4,5-e]-1,2,3,4-tetrazine (9CI) Specification

The Pyrimido[4, 5-e]-1, 2, 3, 4-tetrazine (9CI), with the CAS registry number 6133-70-6, is also known as 1, 2, 3, 4, 5, 7-Hexaazanaphthalene. It belongs to the product category of Pyrimidine. This chemical's molecular formula is C₄H₂N₆ and molecular weight is 134.10. What's more, its systematic name is Pyrimido[4, 5-e]tetrazine.

Physical properties about Pyrimido[4, 5-e]-1, 2, 3, 4-tetrazine (9CI) are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.742; (5)ACD/KOC (pH 7.4): 2.742; (6)#H bond acceptors: 6; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 77.34 Å²; (10)Index of Refraction: 1.717; (11)Molar Refractivity: 32.643 cm³; (12)Molar Volume: 82.892 cm³; (13)Polarizability: 12.941×10^-24 cm³; (14)Surface Tension: 122.898 dyne/cm; (15)Density: 1.618 g/cm³; (16)Flash Point: 166.842 °C; (17)Enthalpy of Vaporization: 54.628 kJ/mol; (18)Boiling Point: 326.657 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c2c(ncn1)nnnn2
(2) InChI: InChI=1/C4H2N6/c1-3-4(6-2-5-1)8-10-9-7-3/h1-2H
(3) InChIKey: ILIXZDAXEYSHAJ-UHFFFAOYAW

Product Name

Pyrimido[4,5-e]-1,2,3,4-tetrazine (9CI)

Pyrimido[4,5-e]-1,2,3,4-tetrazine (9CI) Specification

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