4-Chloro-N-methylbenzenemethanamine

C₈H₁₀ClNCAS 104-11-0155.63 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₈H₁₀ClN
Molar mass: 155.63 g/mol
Exact mass: 155.0502 Da
Boiling point: 120–123 °C (at 15 Torr)
logP: 2.06Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed33.3% of notifiers
H314 Causes severe skin burns and eye damage66.7% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

104-11-0

SMILES

CNCc1ccc(Cl)cc1

InChIKey

LMBUJNXYGGNSAH-UHFFFAOYSA-N

InChI

InChI=1S/C8H10ClN/c1-10-6-7-2-4-8(9)5-3-7/h2-5,10H,6H2,1H3

Weigh it out

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

Names and synonyms

14 names · show all

Benzenemethanamine, 4-chloro-N-methyl-
p-Chloro-N-methylbenzylamine
4-Chloro-N-methylbenzylamine
N-Methyl-p-chlorobenzylamine
N-(p-Chlorobenzyl)-N-methylamine
(4-Chlorobenzyl)methylamine
N-Methyl-4-chlorobenzylamine
NSC 39968
N-Methyl-N-(4-chlorobenzyl)amine
N-(4-Chlorobenzyl)-N-methylamine
4-Chlorobenzyl-N-methylamine
1-(4-Chlorophenyl)-N-methylmethanamine
[(4-Chlorophenyl)methyl](methyl)amine
Benzylamine, p-chloro-N-methyl-

Work with 4-Chloro-N-methylbenzenemethanamine

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

N-Methylbenzylamine103-67-356 % similar 4-Amino-N-methylbenzenemethanamine38020-69-856 % similar 4-Fluoro-N-methylbenzenemethanamine405-66-356 % similar (4-Bromobenzyl)methylamine699-03-656 % similar N-Methyl-4-pyridinemethanamine6971-44-452 % similar N-Methyl-4-methoxybenzylamine702-24-952 % similar (2,4-Dichlorobenzyl)methylamine5013-77-452 % similar 1-Chloro-4-ethylbenzene622-98-050 % similar

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

Same formula

2-(3-Chlorophenyl)ethylamine13078-79-0 2-(2-Chlorophenyl)ethylamine13078-80-3 4-Chloro-N-ethylbenzenamine13519-75-0 2-(4-Chlorophenyl)ethylamine156-41-2 4-Chloro-2,6-dimethylaniline24596-18-7 3-Chloro-2,6-dimethylaniline26829-77-6 (+)-1-(4-Chlorophenyl)ethylamine27298-99-3 (-)-1-(4-Chlorophenyl)ethylamine4187-56-8

Elsewhere

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