N'-Methyl-2,2'-diaminodiethylamine

Product Information

Molecular Formula:
C5H15N3
Molecular Weight:
117.19
Description
N'-Methyl-2,2'-diaminodiethylamine assumes an instrumental role as a reagent for chemical synthesis and drug development processes. It stands as a vital precursor in the production of multifarious pharmacotherapeutic interventions, encompassing awe-inspiring anticancer agents and potent antiviral medications. Drawing eminence from its therapeutic prowess, this compound assumes paramount importance in the combat against malignant neoplasms and relentless viral invasions.
Synonyms
N-Methyl-2,2'-diaminodiethylamine; HYSQEYLBJYFNMH-UHFFFAOYSA-N; N'-methyl-2,2'-diaminodiethylamine; 4097-88-5; N-(2-Aminoethyl)-N-methyl-1,2-ethanediamine; bis(2-aminoethyl)(methyl)amine
IUPAC Name
N'-(2-aminoethyl)-N'-methylethane-1,2-diamine
Canonical SMILES
CN(CCN)CCN
InChI
InChI=1S/C5H15N3/c1-8(4-2-6)5-3-7/h2-7H2,1H3
InChI Key
HYSQEYLBJYFNMH-UHFFFAOYSA-N
Boiling Point
84ºC / 14mmHg
Flash Point
84°C
Purity
95%
Density
0,91
Appearance
Colorless to Light yellow clear liquid
Refractive Index
1.4690-1.4720

Safety Information

Hazards
H314:
Causes severe skin burns and eye damage.
Precautionary Statement
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:
IF SWALLOWED:
Rinse mouth.
Do NOT induce vomiting.
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.
P501:
Dispose of contents/container in accordance with local/regional/national/international regulations.

Computed Properties

XLogP3
-1.4
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
117.126597491 g/mol
Monoisotopic Mass
117.126597491 g/mol
Topological Polar Surface Area
55.3Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
40.9
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

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Literatures

PMID Publication Date Title Journal
17028680 2006-10-21 Complexation behaviour and stability of Schiff bases in aqueous solution. The case of an acyclic diimino(amino) diphenol and its reduced triamine derivative Dalton transactions (Cambridge, England : 2003)
11877752 2002-02-15 Biokinetics of yttrium-90--labeled huBrE-3 monoclonal antibody Cancer
The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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