Name: Name:3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)aniline
Brand: Angene
SKU: AG019LBD
Rating: 90 (10 reviews)

3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)aniline

CAS No.:

891038-92-9

Catalog Number:

AG019LBD

Molecular Formula:

C8H9N5

Molecular Weight:

175.1906

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Product Description

Catalog Number:

AG019LBD

Chemical Name:

3-methyl-4-(1H-1,2,3,4-tetrazol-1-yl)aniline

CAS Number:

891038-92-9

Molecular Formula:

C8H9N5

Molecular Weight:

175.1906

MDL Number:

MFCD09048464

IUPAC Name:

3-methyl-4-(tetrazol-1-yl)aniline

InChI:

InChI=1S/C8H9N5/c1-6-4-7(9)2-3-8(6)13-5-10-11-12-13/h2-5H,9H2,1H3

InChI Key:

SSVSIXSYXPJJEB-UHFFFAOYSA-N

SMILES:

Nc1ccc(c(c1)C)n1cnnn1

Properties

Complexity:

174

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

175.086g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

175.195g/mol

Monoisotopic Mass:

175.086g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101