N,N-Diethyl-1,3-propanediamine

C₇H₁₈N₂CAS 104-78-9130.23 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₇H₁₈N₂
Molar mass: 130.23 g/mol
Exact mass: 130.1470 Da
Density: 0.8283 g/mL (at 20 °C)
Boiling point: 168.5 °C
Flash point: 58.9 °C
logP: 0.68Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 5

Hazards

Danger

H226 Flammable liquid and vaporFlammable liquids
H302 Harmful if swallowedAcute toxicity, oral
H312 Harmful in contact with skinAcute toxicity, dermal
H314 Causes severe skin burns and eye damageSkin corrosion/irritation
H317 May cause an allergic skin reactionSensitization, Skin

Harmonised EU classification (CLP Annex VI, index 612-062-00-1), via PubChem.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

104-78-9

SMILES

CCN(CC)CCCN

InChIKey

QOHMWDJIBGVPIF-UHFFFAOYSA-N

InChI

InChI=1S/C7H18N2/c1-3-9(4-2)7-5-6-8/h3-8H2,1-2H3

Weigh it out

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

Names and synonyms

25 names · show all

1,3-Propanediamine, N1,N1-diethyl-
1,3-Propanediamine, N,N-diethyl-
N1,N1-Diethyl-1,3-propanediamine
1-Amino-3-(diethylamino)propane
N-(3-Diethylaminopropyl)amine
3-(Diethylamino)propylamine
Diethylaminotrimethylenamine
N,N-Diethyl-1,3-diaminopropane
3-Diethylamino-1-propylamine
3-(N,N-Diethylamino)-1-propylamine
γ-(Diethylamino)propylamine
N,N-Diethyltrimethylenediamine
N,N-Diethyl-1,3-propylenediamine
3-(Diethylamino)-n-propylamine
N-(Diethylaminopropyl)amine
3-(Diethylamino)propanamine
3-(N,N-Diethylamino)propylamine
NSC 7776
N-(3-Aminopropyl)-N,N-diethylamine
N1,N1-Diethylpropane-1,3-diamine
N-(3-Aminopropyl)diethylamine
(3-Diethylaminopropan-1-yl)amine
N,N-Ethylpropane-1,3-diamine
N-Aminopropyl-N,N-diethylamine
3-Diethylamino-1-propaneamine

Work with N,N-Diethyl-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N-Diethyl-1,4-butanediamine27431-62-585 % similar N,N-Diethylethylenediamine100-36-770 % similar N1,N1-Dibutyl-1,3-propanediamine102-83-061 % similar 1-Pyrrolidinepropanamine23159-07-160 % similar 1,4-Bis(3′-aminopropyl)piperazine7209-38-360 % similar 3-(Azepan-1-yl)propan-1-amine3437-33-057 % similar Piperidine-1-propylamine3529-08-657 % similar N,N-Bis(3-aminopropyl)dodecylamine2372-82-956 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N1,N3-Diethyl-1,3-propanediamine10061-68-4 N,N-Diethyl-N′-methylethylenediamine104-79-0 N,N,N',N'-Tetramethyl-1,3-diaminopropane110-95-2 1,7-Heptanediamine646-19-5

Elsewhere

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