4-Benzylmorpholine-2-carboxylic acid hydrochloride

C₁₂H₁₆ClNO₃CAS 135072-15-0257.71 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Tertiary amine

Properties

Molecular formula: C₁₂H₁₆ClNO₃
Molar mass: 257.71 g/mol
Exact mass: 257.0819 Da
logP: 1.39Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

135072-15-0

SMILES

C1COC(CN1CC2=CC=CC=C2)C(=O)O.Cl

InChIKey

CEDXMALCJZSQHA-UHFFFAOYSA-N

InChI

InChI=1S/C12H15NO3.ClH/c14-12(15)11-9-13(6-7-16-11)8-10-4-2-1-3-5-10;/h1-5,11H,6-9H2,(H,14,15);1H

Weigh it out

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

Names and synonyms

1 names

4-Benzyl-2-morpholinecarboxylic acid hydrochloride

Work with 4-Benzylmorpholine-2-carboxylic acid hydrochloride

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

4-Benzylmorpholine-2-carboxylic acid769087-80-1Free base

Similar compounds

4-(Phenylmethyl)-2-morpholinecarboxylic acid methyl ester135782-29-560 % similar N-Benzyl-3-pyrrolidinecarboxylic acid5731-18-060 % similar 1-Benzylpiperidine-4-carboxylic acid10315-07-852 % similar 4-(Phenylmethyl)-2-morpholinemethanol40987-24-451 % similar (4-Benzyl-1,4-oxazinan-2-yl)methylamine110859-47-748 % similar 4-Benzylmorpholine-2-carbonitrile126645-52-148 % similar 4-Benzyl-2-(chloromethyl)morpholine40987-25-548 % similar Methyl 1-benzyl-4-oxopiperidine-3-carboxylate hydrochloride3939-01-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

H-Hyp-obzl hcl62147-27-7

Elsewhere

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