2'-Amino-4',5'-dimethoxyacetophenone

C₁₀H₁₃NO₃CAS 4101-30-8195.22 g/mol

Open in Covalent MOL file

Ether Ketone Primary amine

Properties

Molecular formula: C₁₀H₁₃NO₃
Molar mass: 195.22 g/mol
Exact mass: 195.0895 Da
logP: 1.49Crippen estimate
Polar surface area: 61.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation85.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation71.4% of notifiers

Aggregated from 7 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

4101-30-8

SMILES

CC(=O)C1=CC(=C(C=C1N)OC)OC

InChIKey

KGKWXEGYKGTMAK-UHFFFAOYSA-N

InChI

InChI=1S/C10H13NO3/c1-6(12)7-4-9(13-2)10(14-3)5-8(7)11/h4-5H,11H2,1-3H3

Weigh it out

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

Names and synonyms

1 names

Ethanone, 1-(2-amino-4,5-dimethoxyphenyl)-

Work with 2'-Amino-4',5'-dimethoxyacetophenone

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

1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-269 % similar 2′-Amino-4′,5′-methylenedioxyacetophenone hydrochloride93983-01-868 % similar 1-[2-Amino-5-methoxy-4-(phenylmethoxy)phenyl]ethanone75665-73-567 % similar 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-264 % similar 2-Amino-4,5-dimethoxybenzoic acid5653-40-763 % similar Methyl 6-amino-3,4-dimethoxybenzoate26759-46-661 % similar 1-(2-Amino-4-methoxyphenyl)ethan-1-one42465-53-261 % similar 3,4-Dimethoxyacetophenone1131-62-058 % similar

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

Same formula

O-(Phenylmethyl)-D-serine10433-52-0 Methyl L-tyrosinate1080-06-4 (S)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-56-7 (R)-3-Amino-3-(4-methoxy-phenyl)-propionic acid131690-57-8 Ethyl 2-formyl-3,5-dimethylpyrrole-4-carboxylate2199-59-9 4-tert-Butyl-2-nitrophenol3279-07-0 3-Methoxy-L-phenylalanine33879-32-2 O-Methyl-D-tyrosine39878-65-4

Elsewhere

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