Methyl 3-morpholinopropionate

C₈H₁₅NO₃CAS 33611-43-7173.21 g/mol

Open in Covalent MOL file

Ester Ether Tertiary amine

Properties

Molecular formula: C₈H₁₅NO₃
Molar mass: 173.21 g/mol
Exact mass: 173.1052 Da
Density: 1.0711 g/mL (at 20 °C)
Boiling point: 82 °C (at 2 Torr)
logP: -0.12Crippen estimate
Polar surface area: 38.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

33611-43-7

SMILES

COC(=O)CCN1CCOCC1

InChIKey

YMSLLIGKMYXCPK-UHFFFAOYSA-N

InChI

InChI=1S/C8H15NO3/c1-11-8(10)2-3-9-4-6-12-7-5-9/h2-7H2,1H3

Weigh it out

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

Names and synonyms

9 names

4-Morpholinepropanoic acid, methyl ester
4-Morpholinepropionic acid, methyl ester
NSC 408953
Methyl 3-morpholinopropanoate
4-(2-(Methoxycarbonyl)ethyl)morpholine
Methyl 3-(4-morpholinyl)propionate
Methyl 4-morpholinepropanoate
Methyl β-morphonyl-propionate
3-Morpholin-4-yl-propionic acid methyl ester

Work with Methyl 3-morpholinopropionate

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

Dimethyl succinate106-65-056 % similar Dimethyl glutarate1119-40-054 % similar Dimethyladipate627-93-052 % similar Methyl 3-methoxypropionate3852-09-352 % similar 3-Morpholin-4-yl-propionic acid4497-04-552 % similar Dimethyl sebacate106-79-650 % similar Dimethyl octadecanedioate1472-93-150 % similar 1,12-Dimethyl dodecanedioate1731-79-950 % similar

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

Same formula

N-Acetyl-L-leucine1188-21-2 N-Boc-(methylamino)acetaldehyde123387-72-4 1-N-Boc-3-hydroxyazetidine141699-55-0 (3aR,4S,6R,6aS)-6-amino-2,2-dimethyltetrahydro-3aH-cyclopenta(d)(1,3)dioxol-4-ol155899-66-4 tert-Butyl N-(2-oxopropyl)carbamate170384-29-9 N-Acetyl-D-leucine19764-30-8 N-Acetyl-L-isoleucine3077-46-1 6-Acetylaminocaproic acid57-08-9

Elsewhere

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