N-(2-Hydroxypropyl)ethylenediamine

C₅H₁₄N₂OCAS 123-84-2118.18 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
Density: 0.981 g/mL (at 28.5 °C)
Melting point: −50 °C
Boiling point: 155 °C
logP: -1.08Crippen estimate
Polar surface area: 58.3 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 4

Hazards

Danger

H315 Causes skin irritation95.1% of notifiers
H318 Causes serious eye damage97.6% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

123-84-2

SMILES

CC(O)CNCCN

InChIKey

CWKVFRNCODQPDB-UHFFFAOYSA-N

InChI

InChI=1S/C5H14N2O/c1-5(8)4-7-3-2-6/h5,7-8H,2-4,6H2,1H3

Weigh it out

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

Names and synonyms

10 names

2-Propanol, 1-[(2-aminoethyl)amino]-
1-[(2-Aminoethyl)amino]-2-propanol
N-(β-Hydroxypropyl)ethylenediamine
β-Hydroxypropylethylenediamine
Monolene
N-(β-Hydroxypropyl)-1,2-diaminoethane
(2-Hydroxypropylamino)ethylamine
N-(β-Aminoethyl)isopropanolamine
Amino alcohol PA
N-(2-Hydroxypropyl)-1,2-ethanediamine

Work with N-(2-Hydroxypropyl)ethylenediamine

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

Diisopropanolamine110-97-461 % similar Diethylenetriamine111-40-043 % similar (R)-1-Amino-2-propanol2799-16-842 % similar (+)-1-Amino-2-propanol2799-17-942 % similar 1-Aminopropan-2-ol78-96-642 % similar Triethylenetetramine112-24-342 % similar Tetraethylenepentamine112-57-242 % similar Pentaethylenehexamine4067-16-742 % similar

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

Same formula

N-(2-Hydroxyethyl)-1,3-propanediamine4461-39-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook