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Aromatic building blocks

Simtrazene

Also known as Centrazene, CL 26193, 1,4-Dimethyl-1,4-diphenyl-2-tetrazene

CAS 5579-27-1Formula C14H16N4Molar mass 240.31 g/mol
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Simtrazene chemical structure, C14H16N4, CAS 5579-27-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5579-27-1
Formula
C14H16N4
Molar mass
240.31 g/mol
HS code
294200
Category
Aromatic building blocks

What is Simtrazene?

Plain description, key identifiers and synonyms

Simtrazene is a tetrazene derivative with carcinostatic activity, but lacks measurable bone marrow destruction in animal models.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-methyl-N-[(E)-(N-methylanilino)diazenyl]aniline
CAS number
5579-27-1 CAS number cross-checked
Molecular formula
C14H16N4
UNII
HSD1XP51CR
InChIKey
WRINSSLBPNLASA-FOCLMDBBSA-N
InChI
InChI=1S/C14H16N4/c1-17(13-9-5-3-6-10-13)15-16-18(2)14-11-7-4-8-12-14/h3-12H,1-2H3/b16-15+
Canonical SMILES
CN(N=NN(C)c1ccccc1)c1ccccc1
Isomeric SMILES
CN(C1=CC=CC=C1)/N=N/N(C)C2=CC=CC=C2

Synonyms

  • Centrazene
  • CL 26193
  • 1,4-Dimethyl-1,4-diphenyl-2-tetrazene
  • 2-Tetrazene, 1,4-dimethyl-1,4-diphenyl-
  • N-methyl-N-[(E)-(N-methylanilino)diazenyl]aniline
  • 1,4-Dimethyl-1,4-diphenyltetrazene
  • Simtrazenum
  • 1,4-diphenyl-2-tetrazene
  • Sintraceno
  • 2-Tetrazene,4-dimethyl-1,4-diphenyl-
  • Simtrazeno
  • Simtrazene (USAN/INN)
  • 1,4-Dimethyl-1, 4-diphenyl-2-tetrazene
  • N-methyl-N-(methyl-phenylamino)diazenylaniline
  • (E)-1,4-dimethyl-1,4-diphenyltetraaz-2-ene
  • N-methyl-N-[(E)-(N-methylanilino)azo]aniline
  • (2E)-1,4-Dimethyl-1,4-diphenyltetraaz-2-ene

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
240.31 g/molcalc.
Exact mass
240.1375 Dacalc.
LogP (octanol/water)
3.54calc.
Topological polar surface area
31.2 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
4calc.
Heavy atoms
18calc.
Rings
2calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.14calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(NN=NNc2ccccc2)cc1

c1ccc(NN=NNc2ccccc2)cc1

2 rings, 16 atoms.

6 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Simtrazene suppliers

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Simtrazene price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Simtrazene is traded under.

HS 2942.00Indicative HS code

Organic compounds not elsewhere classified in chapter 29

World exports in 2024
$589M
−43.5% vs 2023, imports $614M
2019 to 2024
Top exporters
  1. India * partner reported20.7%
  2. United States18.6%
  3. Italy10.4%
Top importers
  1. United States15.1%
  2. Italy6.7%
  3. Japan5.3%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Simtrazene is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Simtrazene, based on the data on this page

What is Simtrazene?

Simtrazene is a tetrazene derivative with carcinostatic activity, but lacks measurable bone marrow destruction in animal models.

What is the CAS number of Simtrazene?

The CAS registry number of Simtrazene is 5579-27-1.

What is the molecular formula and weight of Simtrazene?

The molecular formula of Simtrazene is C14H16N4 and its molar mass is 240.31 g/mol.

What is Simtrazene used for?

Known uses and roles of Simtrazene include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Simtrazene hazardous?

No GHS hazard classification for Simtrazene is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Simtrazene?

Simtrazene is usually classified under HS code 294200 (XIII. OTHER ORGANIC COMPOUNDS, other organic compounds). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Simtrazene?

Post a free request on CompoundList and suppliers of Simtrazene will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Simtrazene?

Suppliers quote Simtrazene on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Simtrazene

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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