4-Benzyl-2-(chloromethyl)morpholine

C₁₂H₁₆ClNOCAS 40987-25-5225.72 g/mol

Open in Covalent MOL file

Alkyl halide Ether Tertiary amine

Properties

Molecular formula: C₁₂H₁₆ClNO
Molar mass: 225.72 g/mol
Exact mass: 225.0920 Da
Boiling point: 90–92 °C (at 0.1 Torr)
logP: 2.13Crippen estimate
Polar surface area: 12.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage33.3% 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, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P363, P403+P233, P405, P501

Identifiers

CAS number

40987-25-5

SMILES

ClCC1CN(Cc2ccccc2)CCO1

InChIKey

GVWRZZNYCOTWNN-UHFFFAOYSA-N

InChI

InChI=1S/C12H16ClNO/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2

Weigh it out

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

Names and synonyms

4 names

Morpholine, 2-(chloromethyl)-4-(phenylmethyl)-
2-(Chloromethyl)-4-(phenylmethyl)morpholine
N-Benzyl-2-(chloromethyl)morpholine
2-(Chloromethyl)-4-benzylmorpholine

Work with 4-Benzyl-2-(chloromethyl)morpholine

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

(4-Benzyl-1,4-oxazinan-2-yl)methylamine110859-47-768 % similar 4-(Phenylmethyl)-2-morpholinemethanol40987-24-468 % similar 4-Benzylmorpholine-2-carbonitrile126645-52-156 % similar 4-Benzylmorpholine-2-carboxylic acid769087-80-151 % similar 4-(Phenylmethyl)-2-morpholinecarboxylic acid methyl ester135782-29-549 % similar 2-Aminomethyl-4-(4-fluorobenzyl)morpholine112914-13-349 % similar 4-Benzylmorpholine-2-carboxylic acid hydrochloride135072-15-048 % similar (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine169749-99-945 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Benzyl-3-piperidone hydrochloride hydrate50606-58-1 2-Chloro-N-(2,6-diethylphenyl)acetamide6967-29-9

Elsewhere

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