2,5-diamino-p-xylene

Inquiry

Molecular Formula:

C8H12N2

Molecular Weight:

136.19

CAS Number:

6393-01-7

Catalog Number:

6393-01-7

Product Information

Molecular Formula:

C8H12N2

Molecular Weight:

136.19

Description

2,5-dimethyl-p-phenylenediamine is a primary arylamine that is p-xylene substituted at the 2 and 5 positions by amino groups. It is formally a reduction product of 2,5-dimethyl-1,4-benzoquinonediimine. It has a role as an allergen. It derives from a hydride of a p-xylene.

Synonyms

AURORA KA-6569; 2,5-DIAMINO-P-XYLENE; 2,5-Dimethyl-1,4-benzenediamine; 2,5-DIMETHYL-1,4-PHENYLENEDIAMINE; 2,5-DIMETHYL-P-PHENYLENEDIAMINE; 2,5-DIMETHYLBENZENE-1,4-DIAMINE; 1,4-DIAMINO-2,5-XYLENE; 4-AMINO-2,5-DIMETHYLANILINE

IUPAC Name

2,5-dimethylbenzene-1,4-diamine

Canonical SMILES

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

InChI

InChI=1S/C8H12N2/c1-5-3-8(10)6(2)4-7(5)9/h3-4H,9-10H2,1-2H3

InChI Key

BWAPJIHJXDYDPW-UHFFFAOYSA-N

Boiling Point

281.1°C at 760 mmHg

Melting Point

148-150°C

Purity

>98.0%(GC)(T)

Density

1.076g/cm3

Appearance

Greyish-brown crystalline powder

Safety Information

Hazards

H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P312:
IF ON SKIN:
Wash with plenty of soap and water.
Call a POISON CENTER or doctor/physician if you feel unwell.
P304+P340+P312:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician if you feel unwell.
P337+P313:
If eye irritation persists:
Get medical advice/attention.

Computed Properties

XLogP3

1.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

136.100048391 g/mol

Monoisotopic Mass

136.100048391 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

99.8

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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Volume _(start)

Concentration _(final)

Volume _(final)

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2,5-diamino-p-xylene

Product Information

Safety Information

Computed Properties

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