N,N-Diethyl-1,4-butanediamine

C₈H₂₀N₂CAS 27431-62-5144.26 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₈H₂₀N₂
Molar mass: 144.26 g/mol
Exact mass: 144.1626 Da
Density: 0.83 g/mL
Melting point: 156–158 °C
Boiling point: 85–86 °C (at 16 Torr)
logP: 1.07Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 6

Hazards

Danger

H302 Harmful if swallowed16.7% of notifiers
H314 Causes severe skin burns and eye damage83.3% of notifiers
H315 Causes skin irritation16.7% of notifiers
H318 Causes serious eye damage16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

27431-62-5

SMILES

CCN(CC)CCCCN

InChIKey

JILXUIANNUALRZ-UHFFFAOYSA-N

InChI

InChI=1S/C8H20N2/c1-3-10(4-2)8-6-5-7-9/h3-9H2,1-2H3

Weigh it out

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

Names and synonyms

11 names

1,4-Butanediamine, N1,N1-diethyl-
1,4-Butanediamine, N,N-diethyl-
N1,N1-Diethyl-1,4-butanediamine
N,N-Diethyltetramethylenediamine
4-(Diethylamino)butylamine
N,N-Diethyl-1,4-diaminobutane
4-(N,N-Diethylamino)butylamine
Diethylaminobutylamine
(4-Aminobutyl)diethylamine
N-(4-Aminobutyl)diethylamine
1,4-Butanediamine N1,N1-diethyl-

Work with N,N-Diethyl-1,4-butanediamine

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

N,N-Diethyl-1,3-propanediamine104-78-985 % similar N,N-Diethylethylenediamine100-36-767 % similar 4-(Pyrrolidin-1-yl)butan-1-amine24715-90-065 % similar 1-Ethylpyrrolidine7335-06-060 % similar 1-Pyrrolidinepropanamine23159-07-157 % similar N-Ethylpiperidine766-09-657 % similar 3-(Azepan-1-yl)propan-1-amine3437-33-055 % similar Piperidine-1-propylamine3529-08-655 % similar

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

Same formula

N1,N1,N4,N4-Tetramethyl-1,4-butanediamine111-51-3 N,N-Diisopropylethylenediamine121-05-1 N1,N6-Dimethyl-1,6-hexanediamine13093-04-4 Octamethylenediamine373-44-4 N,N′-Diisopropylethylenediamine4013-94-9 N1,N1,N3,N3-Tetramethyl-1,3-butanediamine97-84-7

Elsewhere

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