chempirical

Oxethazaine

C28H41N3O3CAS 126-27-2467.65 g/mol

Open in Covalent MOL file
NONOHON
AlcoholAmideTertiary amine

Properties

Molecular formula
C28H41N3O3
Molar mass
467.65 g/mol
Exact mass
467.3148 Da
Melting point
104 °C
Water solubility
< 1 g/L (22.8 °C)
logP
3.24Crippen estimate
Polar surface area
64.1 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
12

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
126-27-2
SMILES
CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1
InChIKey
FTLDJPRFCGDUFH-UHFFFAOYSA-N
InChI
InChI=1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3

Weigh it out

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

Names and synonyms

15 names · show all
  • Acetamide, 2,2′-[(2-hydroxyethyl)imino]bis[N-(1,1-dimethyl-2-phenylethyl)-N-methyl-
  • Acetamide, 2,2′-[(2-hydroxyethyl)imino]bis[N-(α,α-dimethylphenethyl)-N-methyl-
  • 2,2′-[(2-Hydroxyethyl)imino]bis[N-(1,1-dimethyl-2-phenylethyl)-N-methylacetamide]
  • FH 099
  • Wy 806
  • Betalgil
  • 2-Di(N-methyl-N-phenyl-tert-butyl-carbamoylmethyl)aminoethanol
  • 2,2′-[(2-Hydroxyethyl)imino]bis[N-(α,α-dimethylphenethyl)-N-methylacetamide]
  • Oxaine
  • Mucoxin
  • Oxetacaine
  • Storocain
  • Storocaine
  • Topicain
  • 2-[2-Hydroxyethyl-[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide

Work with Oxethazaine

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

2-[Bis(phenylmethyl)amino]ethanol101-06-441 % similar 2,2'-((Phenylmethyl)imino)bisethanol101-32-641 % similar N-Benzyl-N-methylethanolamine101-98-438 % similar DL-α-Methylphenylalanine1132-26-938 % similar Alpha-Methyl-D-phenylalanine17350-84-438 % similar α-Methyl-L-phenylalanine23239-35-238 % similar N-(2-Hydroxyethyl)phthalimide3891-07-435 % similar 2-(Methylphenylamino)ethanol93-90-334 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook