chempirical

Hexamethylenediamine

C6H16N2CAS 124-09-4116.21 g/mol

Open in Covalent MOL file
H2NNH2
Primary amine

Properties

Molecular formula
C6H16N2
Molar mass
116.21 g/mol
Exact mass
116.1313 Da
Density
0.93 g/mL
Melting point
42 °C
Boiling point
205 °C
pKa
10.7, 11.02 (conjugate acid)
Flash point
85 °C (closed cup)
Water solubility
≥ 100 g/L (22.8 °C)
logP
0.46Crippen estimate
Polar surface area
52.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Harmonised EU classification (CLP Annex VI, index 612-104-00-9), via PubChem.

Precautionary statements

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number
124-09-4
SMILES
NCCCCCCN
InChIKey
NAQMVNRVTILPCV-UHFFFAOYSA-N
InChI
InChI=1S/C6H16N2/c7-5-3-1-2-4-6-8/h1-8H2

Weigh it out

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

Names and synonyms

16 names · show all
  • 1,6-Hexanediamine
  • 1,6-Diaminohexane
  • HMDA
  • 1,6-Hexylenediamine
  • 1,6-Diamino-n-hexane
  • Hexylenediamine
  • α,ω-Hexanediamine
  • V 1
  • Hi perm
  • NSC 9257
  • 80HMD
  • Advancure
  • RT Advancure HD
  • Dytek 70
  • 6-Aminohexylamine
  • Dytek HMD

Work with Hexamethylenediamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Hexanediamine dihydrochloride6055-52-3Salt

Similar compounds

1,12-Dodecanediamine2783-17-7100 % similar Octamethylenediamine373-44-4100 % similar Cadaverine462-94-2100 % similar 1,7-Heptanediamine646-19-5100 % similar 1,9-Nonanediamine646-24-2100 % similar 1,10-Decanediamine646-25-3100 % similar Putrescine110-60-189 % similar 1,5-Diaminopentane dihydrochloride1476-39-775 % similar

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

Same formula

N,N-Diethylethylenediamine100-36-7 N,N,N′,N′-Tetramethylethylenediamine110-18-9 N,N'-Diethylethylenediamine111-74-0 N1-Butyl-1,2-ethanediamine19522-69-1 4-Dimethylaminobutylamine3529-10-0 N,N,N′-Trimethyl-1,3-propanediamine4543-96-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia