2-ethyl-2H-tetrazol-5-amine

Base Information

• Chemical Name: 2-ethyl-2H-tetrazol-5-amine
• CAS No.: 95112-14-4
• Molecular Formula: C3H7N5
• Molecular Weight: 113.122
• Hs Code.: 2933990090
• European Community (EC) Number: 696-401-9
• DSSTox Substance ID: DTXSID20401459
• Wikidata: Q82204576
• Mol file: 95112-14-4.mol

Synonyms:2-ethyl-2H-tetrazol-5-amine;95112-14-4;2-ethyltetrazol-5-amine;2-ethyl-2H-1,2,3,4-tetrazol-5-amine;2-Ethyl-2H-tetrazol-5-ylamine;2-ethyl-5-aminotetrazole;5-amino-2-ethyl-2H-tetrazole;SCHEMBL3273453;DTXSID20401459;SUEIINDYWPMJEW-UHFFFAOYSA-N;CHEMBRDG-BB 4016427;MFCD05625812;AKOS000111107;CCG-321486;BS-36252;2-Ethyl-2H-tetrazol-5-amine, AldrichCPR;BB 0246030;CS-0242190;EN300-245902;Z1198165544

Chemical Property of 2-ethyl-2H-tetrazol-5-amine

Chemical Property:

• Vapor Pressure: 0.00403mmHg at 25°C
• Melting Point: 20 °C (approx)
• Boiling Point: 279.4oC at 760 mmHg
• PKA: 2.38±0.10(Predicted)
• Flash Point: 122.8oC
• PSA: 69.62000
• Density: 1.55g/cm3
• LogP: -0.14360
• XLogP3: 0.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 113.07014524
• Heavy Atom Count: 8
• Complexity: 74.1

Purity/Quality:

98% ^*data from raw suppliers

2-ethyl-2H-tetrazol-5-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1N=C(N=N1)N

Technology Process of 2-ethyl-2H-tetrazol-5-amine

There total 3 articles about 2-ethyl-2H-tetrazol-5-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

5-aminotetrazole (4418-61-5) + diethyl sulfate (64-67-5) → 2-ethyl-5-amino-tetrazole (95112-14-4) + 1-ethyl-1H-tetrazole-5-amine (65258-53-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01632a094

Reference yield:

5-aminotetrazole (4418-61-5) + ethyl iodide (75-03-6) → 2-ethyl-5-amino-tetrazole (95112-14-4) + 1-ethyl-1H-tetrazole-5-amine (65258-53-9)

Guidance literature:

With sodium hydroxide; acetone;

DOI:10.1021/ja01632a094

Reference yield:

5-aminotetrazole (4418-61-5) → 2-ethyl-5-amino-tetrazole (95112-14-4) + 1-ethyl-1H-tetrazole-5-amine (65258-53-9)

Guidance literature:

With potassium carbonate; In ethanol;

DOI:10.1016/j.bmcl.2005.05.135

upstream raw materials:

5-aminotetrazole

diethyl sulfate

ethyl iodide

Downstream raw materials:

2,2'-diethyl-2H,2'H-cis-[5,5']azotetrazole

(2-ethyl-2H-tetrazol-5-yl)-carbamic acid phenyl ester

diisobutyl <(p-fluorophenyl)(2-ethyl-5-aminotetrazol-5-yl)methyl>phosphonate