Pentaethylenehexamine

C₁₀H₂₈N₆CAS 4067-16-7232.38 g/mol

Open in Covalent MOL file

Primary amine Secondary amine

Properties

Molecular formula: C₁₀H₂₈N₆
Molar mass: 232.38 g/mol
Exact mass: 232.2375 Da
Density: 1 g/mL (at 20 °C)
Boiling point: 380 °C
Flash point: 93.3 °C
Water solubility: ≥ 100 g/L (21.1 °C)
logP: -2.74Crippen estimate
Polar surface area: 100.2 Å²
H-bond donors / acceptors: 6 / 6
Rotatable bonds: 13

Hazards

Danger

H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-064-00-2), via PubChem.

Precautionary statements

P260, P261, P264, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P391, P405, P501

Identifiers

CAS number

4067-16-7

SMILES

NCCNCCNCCNCCNCCN

InChIKey

LSHROXHEILXKHM-UHFFFAOYSA-N

InChI

InChI=1S/C10H28N6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h13-16H,1-12H2

Weigh it out

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

Names and synonyms

8 names

3,6,9,12-Tetraazatetradecane-1,14-diamine
Pentaethylenehexaamine
1,4,7,10,13,16-Hexaazahexadecane
3,6,9,12-Tetraazatetradecamethylenediamine
1,2-Bis[[2-[(2-aminoethyl)amino]ethyl]amino]ethane
PEHA
Pentaethylene hexaamine
1,14-Diamino-3,6,9,12-tetraazatetradecane

Work with Pentaethylenehexamine

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

Triethylenetetramine112-24-3100 % similar Tetraethylenepentamine112-57-2100 % similar Diethylenetriamine111-40-092 % similar Triethylenetetramine dihydrochloride38260-01-480 % similar Cuprior4961-40-480 % similar Ethylenediamine-ethylenimine copolymer25987-06-877 % similar N,N'-Bis(2-aminoethyl)-1,3-propanediamine4741-99-573 % similar 3-(Aminopropyl)ethylenediamine13531-52-769 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia