2,4,6-Trimethyl-m-phenylenediamine

Inquiry

Molecular Formula:

C9H14N2

Molecular Weight:

150.22

CAS Number:

3102-70-3

Catalog Number:

3102-70-3

Product Information

Molecular Formula:

C9H14N2

Molecular Weight:

150.22

Description

2,4,6-Trimethyl-m-phenylenediamine is an important compound intermediate. It plays a key role in the formulation and development of drugs for malignancy and neurodegenerative diseases.

Synonyms

2,4,6-trimethyl-1,3-benzenediamine; 2,4,6-trimethyl-3-benzenediamine; 1,3-DIAMINO-2,4,6-TRIMETHYLBENZENE; 2,4-DIAMINOMESITYLENE; 2,4-DIAMINO-1,3,5-TRIMETHYLBENZENE; 2,4,6-TRIMETHYL-1,3-PHENYLENEDIAMINE; 2,4,6-TRIMETHYL-M-PHENYLENEDIAMINE; 2,4-Diamino-1,3,5-trim

IUPAC Name

2,4,6-trimethylbenzene-1,3-diamine

Canonical SMILES

CC1=CC(=C(C(=C1N)C)N)C

InChI

InChI=1S/C9H14N2/c1-5-4-6(2)9(11)7(3)8(5)10/h4H,10-11H2,1-3H3

InChI Key

ZVDSMYGTJDFNHN-UHFFFAOYSA-N

Melting Point

89-91 °C (lit.)

Flash Point

Not applicable

Purity

0.96

Density

1.051g/cm3

Safety Information

Hazards

H302 + H312 + H332 - H315 - H319 - H335

Precautionary Statement

P280 - P301 + P312 + P330 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338

Computed Properties

XLogP3

1.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

150.115698455 g/mol

Monoisotopic Mass

150.115698455 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

122

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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2,4,6-Trimethyl-m-phenylenediamine

Product Information

Safety Information

Computed Properties

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