chempirical

N,N′-Dibenzylethylenediamine diacetate

C18H24N2O2CAS 122-75-8300.40 g/mol

Open in Covalent MOL file
OOHHNNH
Carboxylic acidSecondary amine

Properties

Molecular formula
C18H24N2O2
Molar mass
300.40 g/mol
Exact mass
300.1838 Da
Melting point
110–112 °C
logP
2.66Crippen estimate
Polar surface area
61.4 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
7

Identifiers

CAS number
122-75-8
SMILES
CC(=O)O.c1ccc(CNCCNCc2ccccc2)cc1
InChIKey
MJPABTWCPARPBD-UHFFFAOYSA-N
InChI
InChI=1S/C16H20N2.C2H4O2/c1-3-7-15(8-4-1)13-17-11-12-18-14-16-9-5-2-6-10-16;1-2(3)4/h1-10,17-18H,11-14H2;1H3,(H,3,4)

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

Names and synonyms

6 names
  • 1,2-Ethanediamine, N1,N2-bis(phenylmethyl)-, acetate (1:2)
  • Ethylenediamine, N,N′-dibenzyl-, diacetate
  • 1,2-Ethanediamine, N,N′-bis(phenylmethyl)-, diacetate
  • Benzathine diacetate
  • NSC 33274
  • NSC 81591

Work with N,N′-Dibenzylethylenediamine 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

Benzathine140-28-359 % similar N-(Phenylmethyl)glycine17136-36-653 % similar Benzylethanolamine104-63-252 % similar 3-(Benzylamino)-1-propanol4720-29-051 % similar Benzylphenethylamine3647-71-050 % similar N-(Phenylmethyl)-β-alanine ethyl ester23583-21-348 % similar N-Butylbenzylamine2403-22-747 % similar Piperidinium acetate4540-33-447 % similar

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

Elsewhere

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