Name: Name:5-tert-butyl-1H-1,2,3,4-tetrazole
Brand: Angene
SKU: AG019N4K
Rating: 90 (10 reviews)

5-tert-butyl-1H-1,2,3,4-tetrazole

CAS No.:

92712-46-4

Catalog Number:

AG019N4K

Molecular Formula:

C5H10N4

Molecular Weight:

126.1597

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Product Description

Catalog Number:

AG019N4K

Chemical Name:

5-tert-butyl-1H-1,2,3,4-tetrazole

CAS Number:

92712-46-4

Molecular Formula:

C5H10N4

Molecular Weight:

126.1597

MDL Number:

MFCD11505427

IUPAC Name:

5-tert-butyl-2H-tetrazole

InChI:

InChI=1S/C5H10N4/c1-5(2,3)4-6-8-9-7-4/h1-3H3,(H,6,7,8,9)

InChI Key:

ZEKBKTMMBLWNGK-UHFFFAOYSA-N

SMILES:

CC(c1nnn[nH]1)(C)C

Properties

Complexity:

95.6

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

126.091g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

126.163g/mol

Monoisotopic Mass:

126.091g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.2

Literature

Title	Journal
Experimental and theoretical study of the coordination of 1,2,4-triazolato, tetrazolato, and pentazolato ligands to the [K(18-crown-6)]+ fragment.	Inorganic chemistry 20061016