4-(Aminomethyl)-N,N-dimethylaniline dihydrochloride

C₉H₁₆Cl₂N₂CAS 34403-52-6223.14 g/mol

Open in Covalent MOL file

Primary amine Tertiary amine

Properties

Molecular formula: C₉H₁₆Cl₂N₂
Molar mass: 223.14 g/mol
Exact mass: 222.0691 Da
logP: 2.05Crippen estimate
Polar surface area: 29.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

34403-52-6

SMILES

CN(C)C1=CC=C(C=C1)CN.Cl.Cl

InChIKey

NRZQHDOWSPJUQW-UHFFFAOYSA-N

InChI

InChI=1S/C9H14N2.2ClH/c1-11(2)9-5-3-8(7-10)4-6-9;;/h3-6H,7,10H2,1-2H3;2*1H

Weigh it out

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

Names and synonyms

1 names

4-(Dimethylamino)benzylamine dihydrochloride

Work with 4-(Aminomethyl)-N,N-dimethylaniline 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

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.

4-Dimethylaminobenzylamine19293-58-4Free base

Similar compounds

Tetramethyl-p-phenylenediamine dihydrochloride637-01-463 % similar Tetramethyldiaminodiphenylmethane101-61-156 % similar p-Amino-N,N-dimethylaniline monohydrochloride2052-46-255 % similar N,N-Dimethyl-p-phenylenediamine dihydrochloride536-46-955 % similar 3-(Dimethylamino)benzenemethanamine57678-46-353 % similar [4-(4-Methylpiperazin-1-yl)phenyl]methanamine216144-45-552 % similar Wurster's blue100-22-150 % similar 4-(Dimethylamino)benzyl alcohol1703-46-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook