(2,4-Dichlorobenzyl)methylamine

C₈H₉Cl₂NCAS 5013-77-4190.07 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₈H₉Cl₂N
Molar mass: 190.07 g/mol
Exact mass: 189.0112 Da
logP: 2.71Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H314 Causes severe skin burns and eye damage50% of notifiers
H315 Causes skin irritation50% of notifiers
H318 Causes serious eye damage50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

5013-77-4

SMILES

CNCC1=C(C=C(C=C1)Cl)Cl

InChIKey

GUJXWKXDISDARD-UHFFFAOYSA-N

InChI

InChI=1S/C8H9Cl2N/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4,11H,5H2,1H3

Weigh it out

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

Names and synonyms

1 names

Benzenemethanamine, 2,4-dichloro-N-methyl-

Work with (2,4-Dichlorobenzyl)methylamine

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.

(2,4-Dichlorobenzyl)methylamine hydrochloride90389-07-4Salt

Similar compounds

2-Chloro-N-methylbenzenemethanamine94-64-463 % similar 2,4-Dichlorobenzyl chloride94-99-555 % similar 2,4-Dichlorobenzyl alcohol1777-82-853 % similar 2,4-Dichlorobenzyl bromide20443-99-653 % similar 2,4-Dichlorobenzenemethanethiol59293-67-353 % similar 2,4-Dichlorobenzenemethanamine95-00-153 % similar 4-Chloro-N-methylbenzenemethanamine104-11-052 % similar 2,4-Dichlorophenethyl alcohol81156-68-550 % similar

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

Same formula

(alphaR)-2,4-Dichloro-alpha-methylbenzenemethanamine133773-29-2 2,6-Dichlorophenethylamine14573-23-0 3,4-Dichlorophenethylamine21581-45-3 2,5-Dichlorobenzeneethanamine56133-86-9 1-(2,4-Dichlorophenyl)ethylamine89981-75-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook