Hydroxydiethylphenamine

C₂₁H₃₀Cl₂N₂O₂CAS 13073-96-6413.38 g/mol

Open in Covalent MOL file

Alcohol Ether Tertiary amine

Properties

Molecular formula: C₂₁H₃₀Cl₂N₂O₂
Molar mass: 413.38 g/mol
Exact mass: 412.1684 Da
logP: 3.25Crippen estimate
Polar surface area: 35.9 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 8

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

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

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

13073-96-6

SMILES

C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl.Cl

InChIKey

RBSDUJACXBVDDN-UHFFFAOYSA-N

InChI

InChI=1S/C21H28N2O2.2ClH/c24-16-18-25-17-15-22-11-13-23(14-12-22)21(19-7-3-1-4-8-19)20-9-5-2-6-10-20;;/h1-10,21,24H,11-18H2;2*1H

Weigh it out

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

Work with Hydroxydiethylphenamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-[2-[4-(Diphenylmethyl)-1-piperazinyl]ethoxy]ethanol3733-63-9Free base

Similar compounds

Hydroxyzine hydrochloride2192-20-384 % similar (±)-Hydroxyzine68-88-277 % similar 4-((4-Chlorophenyl)phenylmethyl)-1-piperazineethanol109806-71-556 % similar Levocetirizine dihydrochloride130018-87-056 % similar Cetirizine hydrochloride83881-52-156 % similar (-)-Cetirizine130018-77-850 % similar Cyclizine hydrochloride303-25-350 % similar Cetirizine83881-51-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook