chempirical

N-Dodecyl-1,3-propanediamine

C15H34N2CAS 5538-95-4242.45 g/mol

Open in Covalent MOL file
NHNH2
Primary amineSecondary amine

Properties

Molecular formula
C15H34N2
Molar mass
242.45 g/mol
Exact mass
242.2722 Da
Melting point
24.5–25.5 °C
Boiling point
137–141 °C (at 1 Torr)
logP
3.85Crippen estimate
Polar surface area
38.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
14

Identifiers

CAS number
5538-95-4
SMILES
CCCCCCCCCCCCNCCCN
InChIKey
XMMDVXFQGOEOKH-UHFFFAOYSA-N
InChI
InChI=1S/C15H34N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h17H,2-16H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

21 names · show all
  • 1,3-Propanediamine, N1-dodecyl-
  • 1,3-Propanediamine, N-dodecyl-
  • N1-Dodecyl-1,3-propanediamine
  • RC 5635
  • N-Lauryltrimethylenediamine
  • N-Dodecyl-1,3-trimethylenediamine
  • N-Dodecyltrimethylenediamine
  • N-(3-Aminopropyl)dodecylamine
  • Diam 21
  • Laurylaminopropylamine
  • 3-(Dodecylamino)-1-propanamine
  • Dicrodamine 1.12
  • 3-(Dodecylamino)propylamine
  • N-Lauryl-1,3-diaminopropane
  • N-Dodecyl-1,3-diaminopropane
  • 3-(Laurylamino)propylamine
  • Genamin LAP 100D
  • Genamin LAP 100
  • NSC 28753
  • NSC 40165
  • N-Dodecyl-1,3-propylenediamine

Work with N-Dodecyl-1,3-propanediamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Oleyl-1,3-propanediamine7173-62-878 % similar Dioctylamine1120-48-571 % similar Didecylamine1120-49-671 % similar Dihexylamine143-16-871 % similar Ditetradecylamine17361-44-371 % similar Diheptylamine2470-68-071 % similar Didodecylamine3007-31-671 % similar N1-Butyl-1,2-ethanediamine19522-69-167 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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