N-(Triphenylmethyl)glycine ethyl ester

C₂₃H₂₃NO₂CAS 18514-46-0345.44 g/mol

Open in Covalent MOL file

Ester Secondary amine

Properties

Molecular formula: C₂₃H₂₃NO₂
Molar mass: 345.44 g/mol
Exact mass: 345.1729 Da
logP: 4.13Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 7

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H413 May cause long lasting harmful effects to aquatic life100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

18514-46-0

SMILES

CCOC(=O)CNC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChIKey

CAFYNMFIEFNYRA-UHFFFAOYSA-N

InChI

InChI=1S/C23H23NO2/c1-2-26-22(25)18-24-23(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,24H,2,18H2,1H3

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Names and synonyms

1 names

N-Tritylglycine ethyl ester

Work with N-(Triphenylmethyl)glycine ethyl ester

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

N-Phenylglycine ethyl ester2216-92-461 % similar N-Benzylglycine ethyl ester6436-90-457 % similar Ethyl phenylacetate101-97-353 % similar Ethyl 3-phenylpropanoate2021-28-551 % similar Trt-gly-oh5893-05-051 % similar Ethyl 2-phenoxyacetate2555-49-950 % similar Ethyl 2-phenylisobutyrate2901-13-549 % similar Benzyl ethyl malonate42998-51-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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