BD 1063 Dihydrochloride

C₁₃H₂₀Cl₄N₂CAS 206996-13-6346.12 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₁₃H₂₀Cl₄N₂
Molar mass: 346.12 g/mol
Exact mass: 344.0381 Da
logP: 3.63Crippen estimate
Polar surface area: 6.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Hazards

Warning

H319 Causes serious eye irritation100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

206996-13-6

SMILES

CN1CCN(CC1)CCC2=CC(=C(C=C2)Cl)Cl.Cl.Cl

InChIKey

NXFDBTLQOARIMH-UHFFFAOYSA-N

InChI

InChI=1S/C13H18Cl2N2.2ClH/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11;;/h2-3,10H,4-9H2,1H3;2*1H

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Names and synonyms

1 names

1-[2-(3,4-Dichlorophenyl)ethyl]-4-methylpiperazine dihydrochloride

Work with BD 1063 Dihydrochloride

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

1-Methyl-4-(phenylmethyl)piperazine hydrochloride (1:1)374898-00-744 % similar 3,4-Dichlorophenethylamine21581-45-344 % similar 2-(3,4-Dichlorophenyl)ethanol35364-79-544 % similar 1-(4-(Chlorocarbonyl)benzyl)-4-methylpiperazinediium dichloride106261-64-742 % similar 1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine hydrochloride (1:2)165377-44-641 % similar 3-(4-Methyl-1-piperazinyl)propyl chloride dihydrochloride2031-23-440 % similar 3,4-Dichlorobenzyl chloride102-47-639 % similar 4-((4-Methyl-1-piperazinyl)methyl)benzoic acid dihydrochloride106261-49-839 % similar

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

Elsewhere

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