1,4-Butanediamine,N1,N1,N4,N4-tetramethyl-

Inquiry

Molecular Formula:

C8H20 N2

Molecular Weight:

144.26

CAS Number:

111-51-3

Catalog Number:

111-51-3

Product Information

Molecular Formula:

C8H20 N2

Molecular Weight:

144.26

Description

N,N,N',N'-Tetramethyl-1,4-butanediamine is a natural product found in Hyoscyamus reticulatus, Duboisia myoporoides, and Solanum wendlandii.

Synonyms

TETRAMETHYLDIAMINOBUTANE; N,N,N',N'-TETRAMETHYL-1,4-BUTANEDIAMINE; N,N,N',N'-TETRAMETHYL-1,4-DIAMINOBUTANE; N,N,N',N'-TETRAMETHYLPUTRESCINE; N,N,N',N'-TETRAMETHYLTETRAMETHYLENEDIAMINE; 1,4-BIS(DIMETHYLAMINO)-BUTANE

IUPAC Name

N,N,N',N'-tetramethylbutane-1,4-diamine

Canonical SMILES

CN(C)CCCCN(C)C

InChI

InChI=1S/C8H20N2/c1-9(2)7-5-6-8-10(3)4/h5-8H2,1-4H3

InChI Key

VEAZEPMQWHPHAG-UHFFFAOYSA-N

Boiling Point

166-167ºC(lit.)

Melting Point

-100ºC

Flash Point

46 °C

Purity

N/A

Density

0.792 g/mL at 25 °C(lit.)

Appearance

clear, colorless liquid

Storage

Flammables area

Refractive Index

n20/D 1.428 (lit.)

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

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

144.162648646 g/mol

Monoisotopic Mass

144.162648646 g/mol

Topological Polar Surface Area

6.5Å²

Heavy Atom Count

Formal Charge

Complexity

59.7

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-113754601-A	Synthesis method of N2-beta-sulfanyl triazole derivative	2021-10-25
CN-113429715-A	Phosphorylated polyvinyl alcohol/perfluorinated sulfonic acid resin compound and ion exchange membrane	2021-06-28
CN-112958017-A	Equipment and method for continuously producing hexafluoropropylene oxide tripolymer	2021-03-15
CN-214636274-U	Microporous pipeline reactor for producing HFPO tripolymer	2021-03-15
CN-214654566-U	Reaction equipment for continuously producing HFPO tripolymer	2021-03-15
CN-112760991-A	Method for preparing anion exchange membrane in green manner	2021-01-25
KR-102290975-B1	Foam compositions for sound-absorbing materials with improved fire-retardancy and sound-absorption, and sound-absorbing materials for sound box using the same	2020-11-13
CN-111978227-A	Synthetic method of thiourea	2020-09-04
WO-2022046581-A1	Dimensionally stable polyurethanes and composites	2020-08-31
WO-2022046582-A1	Rigid polyurethane foam and multilayer thermal insulation assemblies containing the foam	2020-08-31

Literatures

PMID	Publication Date	Title	Journal
21510625	2011-05-16	NMR studies of models having the Pt(d(GpG)) 17-membered macrocyclic ring formed in DNA by platinum anticancer drugs: Pt complexes with bulky chiral diamine ligands	Inorganic chemistry

The molarity calculator equation

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

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The dilution calculator equation

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