N1,N3-Diethyl-1,3-propanediamine

C₇H₁₈N₂CAS 10061-68-4130.23 g/mol

Open in Covalent MOL file

Secondary amine

Properties

Molecular formula: C₇H₁₈N₂
Molar mass: 130.23 g/mol
Exact mass: 130.1470 Da
logP: 0.60Crippen estimate
Polar surface area: 24.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 6

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H317 May cause an allergic skin reaction97.5% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

10061-68-4

SMILES

CCNCCCNCC

InChIKey

BEPGHZIEOVULBU-UHFFFAOYSA-N

InChI

InChI=1S/C7H18N2/c1-3-8-6-5-7-9-4-2/h8-9H,3-7H2,1-2H3

Weigh it out

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

Names and synonyms

7 names

1,3-Propanediamine, N1,N3-diethyl-
1,3-Propanediamine, N,N′-diethyl-
N,N′-Diethyl-1,3-propanediamine
N,N′-Diethyl-1,3-diaminopropane
N,N′-Diethyl-1,3-propylenediamine
NSC 137826
N1,N3-Diethylpropane-1,3-diamine

Work with N1,N3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N,N′-Diethylethylenediamine111-74-071 % similar Ethylbutylamine13360-63-971 % similar N-Ethyl-1,3-propanediamine10563-23-263 % similar Ethylpropylamine20193-20-859 % similar Diethylamine109-89-757 % similar N-Ethylethylenediamine110-72-553 % similar 2-(Ethylamino)ethanol110-73-653 % similar Titanium tetrakis(diethylamine)4419-47-047 % similar

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

Same formula

N,N-Diethyl-1,3-propanediamine104-78-9 N,N-Diethyl-N′-methylethylenediamine104-79-0 Tetramethyl-1,3-propanediamine110-95-2 1,7-Heptanediamine646-19-5

Elsewhere

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