CAS No.127661-01-2,N,N-Bis[1(2)H-tetrazol-5-yl]amine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	127661-01-2
Name:	N,N-Bis[1(2)H-tetrazol-5-yl]amine
Article Data:	14

Formula:	C₂H₃N₉
Molecular Weight:	153.106
Synonyms:	Bis[1(2)H-tetrazol-5-yl]amine;
Density:	2.142 g/cm³
Melting Point:	>220 °C (decomp)(Solv: water (7732-18-5))
Boiling Point:	531.2 °C at 760 mmHg
Flash Point:	275 °C
PSA:	124.18000
LogP:	-2.12170

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Specification

The Bis(5-tetrazolyl)amine, with the CAS registry number of 127661-01-2, is also known as Bis[1(2)H-tetrazol-5-yl]amine. This chemical's molecular formula is C₂H₃N₉ and molecular weight is 153.1055. What's more, its systematic name is called N-2H-Tetrazol-5-yl-2H-tetrazol-5-amine.

Physical properties about Bis(5-tetrazolyl)amine are: (1)ACD/LogP: -1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.46; (4)ACD/LogD (pH 7.4): -4.82; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 9; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 90.44 Å²; (13)Index of Refraction: 1.892; (14)Molar Refractivity: 33.04 cm³; (15)Molar Volume: 71.4 cm³; (16)Surface Tension: 251.9 dyne/cm; (17)Density: 2.142 g/cm³; (18)Flash Point: 275 °C; (19)Enthalpy of Vaporization: 80.66 kJ/mol; (20)Boiling Point: 531.2 °C at 760 mmHg; (21)Vapour Pressure: 2.3E-11 mmHg at 25 °C.

Preparation: this chemical is prepared by 2, 4-Diazido-6-methoxy-[1, 3, 5]triazine by heating. The reaction needs reagent H₂O. The yield is about 60 %.

You can still convert the following datas into molecular structure:
(1) SMILES: n1nc(nn1)Nc2nnnn2
(2) InChI: InChI=1/C2H3N9/c3(1-4-8-9-5-1)2-6-10-11-7-2/h(H3,3,4,5,6,7,8,9,10,11)
(3) InChIKey: RVXHYSAOMMVOCQ-UHFFFAOYAM