N,N-Diethylethylenediamine

C₆H₁₆N₂CAS 100-36-7116.21 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₆H₁₆N₂
Molar mass: 116.21 g/mol
Exact mass: 116.1313 Da
Melting point: 184–186 °C (decomposes)
Boiling point: 144 °C
logP: 0.29Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Danger

H226 Flammable liquid and vapor98.8% of notifiers
H302 Harmful if swallowed69.6% of notifiers
H311 Toxic in contact with skin96.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage70.2% of notifiers
H332 Harmful if inhaled26.1% of notifiers

Aggregated from 161 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

100-36-7

SMILES

CCN(CC)CCN

InChIKey

UDGSVBYJWHOHNN-UHFFFAOYSA-N

InChI

InChI=1S/C6H16N2/c1-3-8(4-2)6-5-7/h3-7H2,1-2H3

Weigh it out

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

Names and synonyms

20 names · show all

1,2-Ethanediamine, N1,N1-diethyl-
Ethylenediamine, N,N-diethyl-
1,2-Ethanediamine, N,N-diethyl-
N1,N1-Diethyl-1,2-ethanediamine
N-(2-Diethylaminoethyl)amine
β-(Diethylamino)ethylamine
2-(Diethylamino)ethylamine
N-(2-Aminoethyl)-N,N-diethylamine
N,N-Diethyl-1,2-ethanediamine
1-Amino-2-(diethylamino)ethane
N,N-Diethyl-1,2-diaminoethane
N,N-Diethyl-1,2-ethylenediamine
2-(Diethylamino)ethanamine
NSC 19675
1-Amino-2-(N,N-diethylamino)ethane
N-[2-(N,N-Diethylamino)ethyl]amine
2-Diethylamino-1-ethylamine
Diethylamineethylamine
N′,N′-Diethyl-1,2-diaminoethane
2-Diethylamino-1-ethaneamine

Work with N,N-Diethylethylenediamine

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

N,N-Diethyl-1,3-propanediamine104-78-970 % similar N,N-Diethyl-1,4-butanediamine27431-62-567 % similar N,N,N′,N′-Tetraethylethylenediamine150-77-659 % similar Tris(2-aminoethyl)amine4097-89-659 % similar N'-(2-Diethylaminoethyl)ethane-1,2-diamine24426-16-258 % similar 1,4-Piperazinediethanamine6531-38-056 % similar N1,N1-Dibutyl-1,2-ethanediamine3529-09-752 % similar 1,4-Diethylpiperazine6483-50-750 % similar

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

Same formula

N,N,N′,N′-Tetramethylethylenediamine110-18-9 N,N'-Diethylethylenediamine111-74-0 Hexamethylenediamine124-09-4 N1-Butyl-1,2-ethanediamine19522-69-1 4-Dimethylaminobutylamine3529-10-0 N,N,N′-Trimethyl-1,3-propanediamine4543-96-8

Elsewhere

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