N-(2-Hydroxyethyl)-1,3-propanediamine

C₅H₁₄N₂OCAS 4461-39-6118.18 g/mol

Open in Covalent MOL file

Alcohol Primary amine Secondary amine

Properties

Molecular formula: C₅H₁₄N₂O
Molar mass: 118.18 g/mol
Exact mass: 118.1106 Da
Melting point: 5.532 °C
Boiling point: 92–94 °C (at 0.3 Torr)
logP: -1.08Crippen estimate
Polar surface area: 58.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 5

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number

4461-39-6

SMILES

NCCCNCCO

InChIKey

GHKSKVKCKMGRDU-UHFFFAOYSA-N

InChI

InChI=1S/C5H14N2O/c6-2-1-3-7-4-5-8/h7-8H,1-6H2

Weigh it out

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

Names and synonyms

14 names · show all

Ethanol, 2-[(3-aminopropyl)amino]-
2-[(3-Aminopropyl)amino]ethanol
N-(2-Hydroxyethyl)trimethylenediamine
N-(Hydroxyethyl)propane-1,3-diamine
1,3-Diamino-N-(2-hydroxyethyl)propane
1,3-Diamino-N-(hydroxyethyl)propane
N-(2-Hydroxyethyl)-1,3-diaminopropane
N-(β-Hydroxyethyl)-1,3-diaminopropane
N-(Aminopropyl)ethanolamine
3-(Hydroxyethylamino)propanamine
Koei 3311
3-(2-Hydroxyethylamino)propylamine
N-(3-Aminopropyl)-2-aminoethanol
2-[(3-Aminopropyl)amino]ethan-1-ol

Work with N-(2-Hydroxyethyl)-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

Aminoethylethanolamine111-41-171 % similar Norspermidine56-18-868 % similar N,N′-Bis(3-aminopropyl)ethylenediamine10563-26-565 % similar Norspermine4605-14-565 % similar Spermine71-44-365 % similar Spermidine124-20-962 % similar 3-(Aminopropyl)ethylenediamine13531-52-762 % similar Diethanolamine111-42-258 % similar

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

Same formula

N-(2-Hydroxypropyl)ethylenediamine123-84-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook