Bis(4-methoxybenzyl)amine hcl salt

C₁₆H₂₀ClNO₂CAS 854391-95-0293.79 g/mol

Open in Covalent MOL file

Ether Secondary amine

Properties

Molecular formula: C₁₆H₂₀ClNO₂
Molar mass: 293.79 g/mol
Exact mass: 293.1183 Da
logP: 3.42Crippen estimate
Polar surface area: 30.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

854391-95-0

SMILES

COC1=CC=C(C=C1)CNCC2=CC=C(C=C2)OC.Cl

InChIKey

BZIDDCTZNYMKMG-UHFFFAOYSA-N

InChI

InChI=1S/C16H19NO2.ClH/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14;/h3-10,17H,11-12H2,1-2H3;1H

Weigh it out

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Names and synonyms

1 names

Bis((4-methoxyphenyl)methyl)amine hydrochloride

Work with Bis(4-methoxybenzyl)amine hcl salt

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.

Bis(4-methoxybenzyl)amine17061-62-0Free base

Similar compounds

(4-Methoxybenzyl)hydrazine hydrochloride2011-48-570 % similar N-Ethyl-4-methoxybenzylamine22993-76-669 % similar N-Methyl-4-methoxybenzylamine702-24-962 % similar O-(4-Methoxybenzyl)hydroxylamine hydrochloride876-33-556 % similar 1-Ethyl-4-methoxybenzene1515-95-352 % similar (4-Methoxyphenyl)hydrazine hydrochloride19501-58-752 % similar N-(4-Methoxyphenyl)piperazine dihydrochloride38869-47-551 % similar 1-(4-Methoxyphenyl)piperazine hydrochloride84145-43-751 % similar

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

Elsewhere

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