4-Benzylmorpholine-2-carboxylic acid
Properties
- Molecular formula
- C12H15NO3
- Molar mass
- 221.26 g/mol
- Exact mass
- 221.1052 Da
- logP
- 0.97Crippen estimate
- Polar surface area
- 49.8 Ų
- H-bond donors / acceptors
- 1 / 3
- 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 the 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
769087-80-1SMILES
C1COC(CN1CC2=CC=CC=C2)C(=O)OInChIKey
UJDWIUOGWSDEFP-UHFFFAOYSA-NInChI
InChI=1S/C12H15NO3/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)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- 4-Benzyl-morpholine-2-carboxylic acid
Work with 4-Benzylmorpholine-2-carboxylic acid
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.
Similar compounds
4-(Phenylmethyl)-2-morpholinecarboxylic acid methyl ester135782-29-564 % similar
N-Benzyl-3-pyrrolidinecarboxylic acid5731-18-064 % similar
1-Benzylpiperidine-4-carboxylic acid10315-07-856 % similar
4-(Phenylmethyl)-2-morpholinemethanol40987-24-455 % similar
(4-Benzyl-1,4-oxazinan-2-yl)methylamine110859-47-751 % similar
4-Benzylmorpholine-2-carbonitrile126645-52-151 % similar
4-Benzyl-2-(chloromethyl)morpholine40987-25-551 % similar
4-Benzyl-2-hydroxy-morpholin-3-one287930-73-847 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.