N,N'-Dimethyl-1,3-propanediamine
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
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
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
102.115698455 g/mol
Monoisotopic Mass
102.115698455 g/mol
Topological Polar Surface Area
24.1Ų
Heavy Atom Count
7
Formal Charge
0
Complexity
25.3
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
