1,3-Dioxolane-2-ethanamine

C₅H₁₁NO₂CAS 5754-35-8117.15 g/mol

Open in Covalent MOL file

Acetal Ether Primary amine

Properties

Molecular formula: C₅H₁₁NO₂
Molar mass: 117.15 g/mol
Exact mass: 117.0790 Da
Boiling point: 70–75 °C (at 18 Torr)
logP: -0.29Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor66.7% of notifiers
H302 Harmful if swallowed66.7% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

5754-35-8

SMILES

NCCC1OCCO1

InChIKey

JNAQYWWCTUEVKR-UHFFFAOYSA-N

InChI

InChI=1S/C5H11NO2/c6-2-1-5-7-3-4-8-5/h5H,1-4,6H2

Weigh it out

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

Names and synonyms

8 names

1,3-Dioxolane-2-ethylamine
2-(2-Aminoethyl)-1,3-dioxolane
3-Aminopropionaldehyde cyclic ethylene acetal
2-(1,3-Dioxolan-2-yl)ethylamine
[2-(Dioxolan-2-yl)ethyl]amine
2-(1,3-Dioxolan-2-yl)ethanamine
Dioxolane-2-ethanamine
2-(1,3-Dioxolan-2-yl)ethan-1-amine

Work with 1,3-Dioxolane-2-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

1-Amino-3,3-diethoxypropane41365-75-759 % similar 2-(2-Bromoethyl)-1,3-dioxolane18742-02-445 % similar 2-(Oxan-4-yl)ethan-1-amine65412-03-543 % similar 4,4-Diethoxy-1-butanamine6346-09-442 % similar 2-(4-Bromobutyl)-1,3-dioxolane87227-41-640 % similar Isoamylamine107-85-736 % similar 2-(Chloromethyl)-1,3-dioxolane2568-30-136 % similar 2-(Bromomethyl)-1,3-dioxolane4360-63-836 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Trimethylglycine107-43-7 Isoamyl nitrite110-46-3 (3S,4S)-3-Aminotetrahydro-2H-pyran-4-ol1240390-32-2 (R)-2-Hydroxymethylmorpholine156925-22-3 N,N-Dimethyl-1,3-dioxolan-2-amine19449-26-4 D-Norvaline2013-12-9 trans-4-Aminotetrahydropyran-3-ol215940-92-4 Alpha-(Methylamino)isobutyric acid2566-34-9

Elsewhere

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