N,N'-Dimethyl-1,3-propanediamine

Inquiry

Molecular Formula:

C5H14N2

Molecular Weight:

102.18

CAS Number:

111-33-1

Catalog Number:

111-33-1

Product Information

Molecular Formula:

C5H14N2

Molecular Weight:

102.18

Description

N,N'-Dimethyl-1,3-propanediamine is a crucial compound used extensively in the biomedicine industry. With its unique properties, it acts as a vital building block for producing pharmaceutical drugs effective in treating various diseases, including cancer, cardiovascular disorders, and neurological conditions. Its extensively studied chemical properties and applications make it an essential component in biomedical research and drug development processes.

Synonyms

1,3-BIS(METHYLAMINO)PROPANE; N,N'-DIMETHYL-1,3-DIAMINOPROPANE; N,N'-DIMETHYLTRIMETHYLENEDIAMINE; N,N'-Dimethyl-1,3-propanediamine, 98+%; N,N'-Dimethyl-1,3-Propanediami; N,N'-Dimethyl-1,3-propanediamine; N1,N3-Dimethyl-1,3-propanediamine; N,N'-Dimethyl-1,3-propa

IUPAC Name

N,N'-dimethylpropane-1,3-diamine

Canonical SMILES

CNCCCNC

InChI

InChI=1S/C5H14N2/c1-6-4-3-5-7-2/h6-7H,3-5H2,1-2H3

InChI Key

UQUPIHHYKUEXQD-UHFFFAOYSA-N

Boiling Point

145 °C (lit.)

Purity

0.97

Density

0.817

Refractive Index

n20/D 1.438 (lit.)

Safety Information

Hazards

H225 - H314

Precautionary Statement

P210 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P305 + P351 + P338

Computed Properties

XLogP3

-0.3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

102.115698455 g/mol

Monoisotopic Mass

102.115698455 g/mol

Topological Polar Surface Area

24.1Å²

Heavy Atom Count

Formal Charge

Complexity

25.3

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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N,N'-Dimethyl-1,3-propanediamine

Product Information

Safety Information

Computed Properties

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