N,N-Bis(2-hydroxyethyl)-3-methylaniline diacetate

C15H21NO4CAS 21615-36-1279.34 g/mol

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OONOO
EsterTertiary amine

Properties

Molecular formula
C15H21NO4
Molar mass
279.34 g/mol
Exact mass
279.1471 Da
logP
1.93Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
7

Hazards

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

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Identifiers

CAS number
21615-36-1
SMILES
CC(=O)OCCN(CCOC(C)=O)c1cccc(C)c1
InChIKey
AHLUBQCOAONRMZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H21NO4/c1-12-5-4-6-15(11-12)16(7-9-19-13(2)17)8-10-20-14(3)18/h4-6,11H,7-10H2,1-3H3

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Names and synonyms

9 names
  • Ethanol, 2,2′-[(3-methylphenyl)imino]bis-, 1,1′-diacetate
  • Ethanol, 2,2′-(m-tolylimino)di-, diacetate (ester)
  • Ethanol, 2,2′-[(3-methylphenyl)imino]bis-, diacetate (ester)
  • Ethanol, 2,2′-(m-tolylimino)di-, diacetate
  • N,N-Bis(2-acetoxyethyl)-m-toluidine
  • N,N-Di(β-acetoxyethyl)-m-toluidine
  • N,N-Bis(acetoxyethyl)-m-toluidine
  • N,N-Bis(2-acetoxyethyl)-3-methylaniline
  • 2,2′-((3-Methylphenyl)imino)bisethyl diacetate

Work with N,N-Bis(2-hydroxyethyl)-3-methylaniline diacetate

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

Diacetyl-N-phenyldiethanolamine19249-34-473 % similar N-[3-[Bis[2-(acetyloxy)ethyl]amino]phenyl]acetamide27059-08-162 % similar 3-[[2-(Acetyloxy)ethyl]phenylamino]propanenitrile22031-33-061 % similar 1-(3-Methylphenyl)piperazine41186-03-251 % similar 2,2'-((3-Methylphenyl)imino)bisethanol91-99-651 % similar 1-(3-Methylphenyl)piperazine dihydrochloride13078-13-248 % similar 3-Methylphenyl acetate122-46-348 % similar N,N-Diethyl-m-toluidine91-67-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Boc-L-homophenylalanine100564-78-1 (3R)-3-(((tert-Butoxy)carbonyl)amino)-4-phenylbutanoic acid101555-61-7 Boc-L-2-methylphenylalanine114873-05-1 Boc-3-methyl-L-phenylalanine114873-06-2 (R)-2-((tert-Butoxycarbonyl)amino)-3-(m-tolyl)propanoic acid114873-14-2 N-Cbz-N-methyl-L-leucine33099-08-0 Boc-N-methyl-L-phenylalanine37553-65-4 (3S)-3-(((tert-Butoxy)carbonyl)amino)-3-(4-methylphenyl)propanoic acid479064-96-5

Elsewhere

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