(Benzylamino)acetaldehyde diethyl acetal

C₁₃H₂₁NO₂CAS 61190-10-1223.32 g/mol

Open in Covalent MOL file

Acetal Ether Secondary amine

Properties

Molecular formula: C₁₃H₂₁NO₂
Molar mass: 223.32 g/mol
Exact mass: 223.1572 Da
logP: 2.18Crippen estimate
Polar surface area: 30.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

61190-10-1

SMILES

CCOC(CNCC1=CC=CC=C1)OCC

InChIKey

SXFVQTYQHWRYOS-UHFFFAOYSA-N

InChI

InChI=1S/C13H21NO2/c1-3-15-13(16-4-2)11-14-10-12-8-6-5-7-9-12/h5-9,13-14H,3-4,10-11H2,1-2H3

Weigh it out

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

Names and synonyms

1 names

N-Benzylaminoacetaldehyde diethyl acetal

Work with (Benzylamino)acetaldehyde diethyl acetal

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

Ethylbenzylamine14321-27-855 % similar N-Benzylglycine ethyl ester6436-90-451 % similar N-(Phenylmethyl)-β-alanine ethyl ester23583-21-349 % similar Dibenzylamine103-49-148 % similar [2-(1-Ethoxyethoxy)ethyl]benzene2556-10-747 % similar Benzathine140-28-345 % similar N-Butylbenzylamine2403-22-744 % similar (Diethoxymethyl)benzene774-48-144 % similar

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

Same formula

1,1′-[(4-Methylphenyl)imino]bis[2-propanol]38668-48-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook