N1,N2-Dimethyl-N1-[2-(methylamino)ethyl]-1,2-ethanediamine

C₇H₁₉N₃CAS 105-84-0145.25 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₇H₁₉N₃
Molar mass: 145.25 g/mol
Exact mass: 145.1579 Da
Boiling point: 60 °C (at 1 Torr)
logP: -0.64Crippen estimate
Polar surface area: 27.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H315 Causes skin irritation97.5% of notifiers
H319 Causes serious eye irritation97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

105-84-0

SMILES

CNCCN(C)CCNC

InChIKey

ODZZIKZQNODXFS-UHFFFAOYSA-N

InChI

InChI=1S/C7H19N3/c1-8-4-6-10(3)7-5-9-2/h8-9H,4-7H2,1-3H3

Weigh it out

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

Names and synonyms

10 names

1,2-Ethanediamine, N1,N2-dimethyl-N1-[2-(methylamino)ethyl]-
Diethylenetriamine, 1,4,7-trimethyl-
1,2-Ethanediamine, N,N′-dimethyl-N-[2-(methylamino)ethyl]-
1,4,7-Trimethyldiethylenetriamine
N,N′,N′′-Trimethyldiethylenetriamine
N,N′-Dimethyl-N-[2-(methylamino)ethyl]-1,2-ethanediamine
1,4,7-Trimethyl-1,4,7-triazaheptane
NSC 166321
N,N′-Dimethyl-N-[2-(methylamino)ethyl]ethylenediamine
N,N-Bis[2-(methylamino)ethyl]methylamine

Work with N1,N2-Dimethyl-N1-[2-(methylamino)ethyl]-1,2-ethanediamine

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,N′-Trimethylethylenediamine142-25-660 % similar Methylpiperazine109-01-358 % similar 1-Methylpiperazine dihydrochloride34352-59-550 % similar N,N-Diethyl-N′-methylethylenediamine104-79-048 % similar 1-Methylhomopiperazine4318-37-048 % similar N,N,N′-Trimethyl-1,3-propanediamine4543-96-848 % similar 1,4-Dimethylpiperazine106-58-147 % similar N,N′-Dimethylethylenediamine110-70-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Bis(3-aminopropyl)methylamine105-83-9 Spermidine124-20-9

Elsewhere

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