2-[2-(2-Propyn-1-yloxy)ethoxy]ethanamine

C₇H₁₃NO₂CAS 944561-44-8143.19 g/mol

Open in Covalent MOL file

Alkyne Ether Primary amine

Properties

Molecular formula: C₇H₁₃NO₂
Molar mass: 143.19 g/mol
Exact mass: 143.0946 Da
logP: -0.39Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6

Hazards

Danger

H314 Causes severe skin burns and eye damage66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage100% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

944561-44-8

SMILES

C#CCOCCOCCN

InChIKey

GVHLQHHQXWSDDM-UHFFFAOYSA-N

InChI

InChI=1S/C7H13NO2/c1-2-4-9-6-7-10-5-3-8/h1H,3-8H2

Weigh it out

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

Names and synonyms

5 names

Ethanamine, 2-[2-(2-propyn-1-yloxy)ethoxy]-
2-(2-(2-Propyn-1-yloxy)ethoxy)ethylamine
2-(2-Prop-2-ynoxyethoxy)ethanamine
2-(2-(Prop-2-yn-1-yloxy)ethoxy)ethan-1-amine
2-(2-(2-Propynyloxy)ethoxy)ethylamine

Work with 2-[2-(2-Propyn-1-yloxy)ethoxy]ethanamine

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

Bis-propargyl-peg131351373-50-671 % similar Polyethylene glycol bis(2-aminoethyl) ether24991-53-557 % similar Bis-aminoethylglycol929-59-957 % similar 2,2′-[Oxybis(2,1-ethanediyloxy)]bis[ethanamine]929-75-957 % similar 2-Aminoethyl ether2752-17-252 % similar 2-(2-Propyn-1-yloxy)ethanol3973-18-048 % similar 2,2′-Oxybis(ethylamine) dihydrochloride60792-79-246 % similar 2,5,8,11,14,17-Hexaoxanonadecan-19-amine184357-46-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-9 Isopropyl β-aminocrotonate14205-46-0 2,2-Diethoxy-1-isocyanoethane15586-32-0 Methyl (3R)-3-piperidinecarboxylate164323-85-7 1,4-Dioxa-8-azaspiro(4.5)decane177-11-7 4-Aminocyclohexanecarboxylic acid1776-53-0 3,3-Diethoxypropiononitrile2032-34-0 N-(2-Hydroxypropyl)methacrylamide21442-01-3

Elsewhere

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