4,4-Ethylenedi-m-toluidine

Inquiry

Molecular Formula:

MFCD00007812

Molecular Weight:

240.34

CAS Number:

54628-21-6

Catalog Number:

54628-21-6

Product Information

Molecular Formula:

MFCD00007812

Molecular Weight:

240.34

Description

4,4-Ethylenedi-m-toluidine is a pivotal substrate in the fabrication of diverse chemical and pharmaceutical compounds, especially in the field of anticancer drugs and imaging agents.

Synonyms

4,4'-Ethylenedi-m-toluidine

IUPAC Name

4-[2-(4-amino-2-methylphenyl)ethyl]-3-methylaniline

Canonical SMILES

CC1=C(C=CC(=C1)N)CCC2=C(C=C(C=C2)N)C

InChI

InChI=1S/C16H20N2/c1-11-9-15(17)7-5-13(11)3-4-14-6-8-16(18)10-12(14)2/h5-10H,3-4,17-18H2,1-2H3

InChI Key

ISESBQNCWCFFFR-UHFFFAOYSA-N

Boiling Point

411°C

Melting Point

170 °C

Flash Point

242°C

Purity

>95.0%(T)

Density

1.092

Appearance

White to Almost white powder to crystal

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

3.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

240.162648646 g/mol

Monoisotopic Mass

240.162648646 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

228

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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4,4-Ethylenedi-m-toluidine

Product Information

Safety Information

Computed Properties

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