3-Chloro-4-methoxybenzenemethanamine

C₈H₁₀ClNOCAS 115514-77-7171.62 g/mol

Open in Covalent MOL file

Aryl halide Ether Primary amine

Properties

Molecular formula: C₈H₁₀ClNO
Molar mass: 171.62 g/mol
Exact mass: 171.0451 Da
logP: 1.81Crippen estimate
Polar surface area: 35.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H314 Causes severe skin burns and eye damage33.3% of notifiers
H315 Causes skin irritation66.7% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% 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+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

115514-77-7

SMILES

COC1=C(C=C(C=C1)CN)Cl

InChIKey

OCNMSDZALRAYEX-UHFFFAOYSA-N

InChI

InChI=1S/C8H10ClNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3

Weigh it out

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

Names and synonyms

1 names

3-Chloro-4-methoxybenzylamine

Work with 3-Chloro-4-methoxybenzenemethanamine

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.

3-Chloro-4-methoxybenzylamine hydrochloride41965-95-1Salt

Similar compounds

Veratrylamine5763-61-168 % similar 3,4-Dichlorobenzenemethanamine102-49-858 % similar 3-Chloro-4-methoxyaniline5345-54-056 % similar 3-Chloro-4-methylbenzylamine67952-93-656 % similar 2-Chloro-1,4-dimethoxybenzene2100-42-755 % similar 2,4-Dichloroanisole553-82-255 % similar 2-Chloro-4-fluoro-1-methoxybenzene2267-25-651 % similar 3-Methoxybenzylamine5071-96-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-((1R)-1-Aminoethyl)-4-chlorophenol1228571-53-6 1-(2-Aminophenyl)ethan-1-one hydrochloride25384-14-9 2-(2-Chlorophenoxy)ethylamine26378-53-0 2-Aminoacetophenone hydrochloride5468-37-1 4-Chloro-2-methoxy-5-methylaniline6376-14-3 (βS)-β-Amino-3-chlorobenzeneethanol663611-73-2

Elsewhere

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