2-METHYL-1,3-PROPANEDIAMINE

Inquiry

Molecular Formula:

C4H12N2

Molecular Weight:

88.15

CAS Number:

2400-78-4

Catalog Number:

2400-78-4

Product Information

Molecular Formula:

C4H12N2

Molecular Weight:

88.15

Description

2-METHYL-1,3-PROPANEDIAMINE is an extensively employed biomedical compound. Its exemplary capabilities as a potent monoamine oxidase (MAO) inhibitor provide valuable assistance in ameliorating depressive states and anxious tendencies. Moreover, this remarkable compound exhibits commendable potential in mitigating the symptoms of Parkinson's disease and attention deficit hyperactivity disorder (ADHD).

Synonyms

1,3-DIAMINO-2-METHYLPROPANE; 2-METHYL-1,3-PROPANEDIAMINE

IUPAC Name

2-methylpropane-1,3-diamine

Canonical SMILES

CC(CN)CN

InChI

InChI=1S/C4H12N2/c1-4(2-5)3-6/h4H,2-3,5-6H2,1H3

InChI Key

BDXGMDGYOIWKIF-UHFFFAOYSA-N

Flash Point

35 °C

Purity

>98.0%(GC)(T)

Density

0.88

Appearance

Colorless to Almost colorless clear liquid

Safety Information

Hazards

H226:
Flammable liquid and vapour.
H314:
Causes severe skin burns and eye damage.

Precautionary Statement

P210:
Keep away from heat, sparks, open flames, hot surfaces. No smoking.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P303+P361+P353:
IF ON SKIN (or hair):
Take off immediately all contaminated clothing. [As modified by IV ATP].
Rinse skin with water/shower.
P304+P340+P310:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Immediately call a POISON CENTER or doctor/physician.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P370+P378:
In case of fire:
Use for extinction:

Computed Properties

XLogP3

-0.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

88.100048391 g/mol

Monoisotopic Mass

88.100048391 g/mol

Topological Polar Surface Area

52Å²

Heavy Atom Count

Formal Charge

Complexity

24.7

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

Patents

Publication Number	Title	Priority Date
CN-113200855-A	Preparation method of ethyl benzoylacetate	2021-05-13
CN-112897629-A	Plant cellulose modified adsorption material and preparation process thereof	2021-04-21
JP-2022041941-A	Method for producing the composition	2020-08-31
JP-2022041942-A	the film	2020-08-31
JP-2022041943-A	Composition	2020-08-31
JP-2022041945-A	the film	2020-08-31
JP-2022041946-A	Method for producing the composition	2020-08-31
JP-2022041947-A	the film	2020-08-31
JP-2022041948-A	the film	2020-08-31
WO-2022045356-A1	Production method for composition	2020-08-31

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)