N,N-Diethylmethylamine

C₅H₁₃NCAS 616-39-787.17 g/mol

Open in Covalent MOL file

Tertiary amine

Properties

Molecular formula: C₅H₁₃N
Molar mass: 87.17 g/mol
Exact mass: 87.1048 Da
Melting point: −196 °C
Boiling point: 66 °C
pKa: 10.5
logP: 0.96Crippen estimate
Polar surface area: 3.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor95.7% of notifiers
H301 Toxic if swallowed89.1% of notifiers
H314 Causes severe skin burns and eye damage97.8% of notifiers
H318 Causes serious eye damage10.9% of notifiers
H332 Harmful if inhaled97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

616-39-7

SMILES

CCN(C)CC

InChIKey

GNVRJGIVDSQCOP-UHFFFAOYSA-N

InChI

InChI=1S/C5H13N/c1-4-6(3)5-2/h4-5H2,1-3H3

Weigh it out

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

Names and synonyms

9 names

N-Methyl-N-ethylethanamine
Ethanamine, N-ethyl-N-methyl-
Diethylamine, N-methyl-
N-Ethyl-N-methylethanamine
Diethylmethylamine
N-Methyldiethylamine
N,N-Diethyl-N-methylamine
Methyldiethylamine
Diethylmonomethylamine

Work with N,N-Diethylmethylamine

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-Dimethylethylamine598-56-147 % similar 1,4-Dimethylpiperazine106-58-143 % similar 1,3,5-Trimethyl-1,3,5-triazinane108-74-743 % similar Triethylamine121-44-843 % similar 1-Methylpyrrolidine120-94-538 % similar N,N,N′,N′-Tetraethylethylenediamine150-77-638 % similar 1,4-Diethylpiperazine6483-50-738 % similar Hexaethylphosphorous triamide2283-11-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isoamylamine107-85-7 1-Aminopentane110-58-7 Methylbutylamine110-68-9 N,2-Dimethyl-2-propanamine14610-37-8 N-Ethyl-2-propanamine19961-27-4 Ethylpropylamine20193-20-8 (R)-(-)-2-Amino-3-methylbutane34701-33-2 Neopentylamine5813-64-9

Elsewhere

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