chempirical

1,7-Heptanediamine

C7H18N2CAS 646-19-5130.23 g/mol

Open in Covalent MOL file
H2NNH2
Primary amine

Properties

Molecular formula
C7H18N2
Molar mass
130.23 g/mol
Exact mass
130.1470 Da
Melting point
28.9 °C
Boiling point
224 °C
logP
0.85Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
6

Identifiers

CAS number
646-19-5
SMILES
NCCCCCCCN
InChIKey
PWSKHLMYTZNYKO-UHFFFAOYSA-N
InChI
InChI=1S/C7H18N2/c8-6-4-2-1-3-5-7-9/h1-9H2

Weigh it out

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

Names and synonyms

8 names
  • 1,7-Diaminoheptane
  • Heptamethylenediamine
  • 1,7-Heptamethylenediamine
  • 1,7-Diamino-n-heptane
  • 1,9-Diazanonane
  • α,ω-Heptanediamine
  • NSC 45777
  • (7-Aminoheptyl)amine

Work with 1,7-Heptanediamine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hexamethylenediamine124-09-4100 % similar 1,12-Dodecanediamine2783-17-7100 % similar Octamethylenediamine373-44-4100 % similar Cadaverine462-94-2100 % similar 1,9-Nonanediamine646-24-2100 % similar Putrescine110-60-189 % similar 1,5-Diaminopentane dihydrochloride1476-39-775 % similar Hexanediamine dihydrochloride6055-52-375 % similar

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

Same formula

N1,N3-Diethyl-1,3-propanediamine10061-68-4 N,N-Diethyl-1,3-propanediamine104-78-9 N,N-Diethyl-N′-methylethylenediamine104-79-0 Tetramethyl-1,3-propanediamine110-95-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook