chempirical

Benproperine phosphate

C21H30NO5PCAS 19428-14-9407.45 g/mol

Open in Covalent MOL file
ONOPOHHOOH
EtherPhosphateTertiary amine

Properties

Molecular formula
C21H30NO5P
Molar mass
407.45 g/mol
Exact mass
407.1862 Da
Melting point
150–152 °C
logP
3.60Crippen estimate
Polar surface area
90.2 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
6

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
19428-14-9
SMILES
CC(COc1ccccc1Cc1ccccc1)N1CCCCC1.O=P(O)(O)O
InChIKey
MCVUURBOSHQXMK-UHFFFAOYSA-N
InChI
InChI=1S/C21H27NO.H3O4P/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19;1-5(2,3)4/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3;(H3,1,2,3,4)

Weigh it out

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

Names and synonyms

8 names
  • Piperidine, 1-[1-methyl-2-[2-(phenylmethyl)phenoxy]ethyl]-, phosphate (1:1)
  • Piperidine, 1-[1-methyl-2-[(α-phenyl-o-tolyl)oxy]ethyl]-, phosphate (1:1)
  • Pirexyl
  • 1-(2-Benzylphenoxy)-2-piperidinopropane phosphate
  • 1-[2-(2-Benzylphenoxy)-1-methylethyl]piperidine monophosphate
  • ASA 158-5
  • Blascorid
  • 1-[2-(2-Benzylphenoxy)-1-methylethyl]piperidinium dihydrogen phosphate

Work with Benproperine phosphate

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

Phenoxybenzamine hydrochloride63-92-335 % similar Phenyltoloxamine citrate1176-08-535 % similar Alprenolol13655-52-234 % similar Alprenolol hydrochloride13707-88-532 % similar (1S,2R)-1-Phenyl-2-(1-pyrrolidinyl)propan-1-ol123620-80-432 % similar Benoxacor98730-04-232 % similar 2-(Benzyloxy)phenylacetic acid22047-88-730 % similar

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

Elsewhere

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