1-(6-Amino-1,3-benzodioxol-5-yl)ethan-1-one hydrochloride

C₉H₁₀ClNO₃CAS 93983-01-8215.63 g/mol

Open in Covalent MOL file

Acetal Ether Ketone Primary amine

Properties

Molecular formula: C₉H₁₀ClNO₃
Molar mass: 215.63 g/mol
Exact mass: 215.0349 Da
logP: 1.62Crippen estimate
Polar surface area: 61.5 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

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

Aggregated from 4 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

93983-01-8

SMILES

CC(=O)c1cc2c(cc1N)OCO2.Cl

InChIKey

PIVDPBIZDWHINL-UHFFFAOYSA-N

InChI

InChI=1S/C9H9NO3.ClH/c1-5(11)6-2-8-9(3-7(6)10)13-4-12-8;/h2-3H,4,10H2,1H3;1H

Weigh it out

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

Names and synonyms

5 names

Ethanone, 1-(6-amino-1,3-benzodioxol-5-yl)-, hydrochloride (1:1)
Ethanone, 1-(6-amino-1,3-benzodioxol-5-yl)-, hydrochloride
2′-Amino-4′,5′-methylenedioxyacetophenone hydrochloride
1-(6-Aminobenzo[d][1,3]dioxol-5-yl)ethanone hydrochloride
1-(6-Amino-2H-1,3-benzodioxol-5-yl)ethan-1-one hydrochloride

Work with 1-(6-Amino-1,3-benzodioxol-5-yl)ethan-1-one hydrochloride

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.

1-(6-Amino-1,3-benzodioxol-5-yl)ethanone28657-75-2Free base

Similar compounds

2'-Amino-4',5'-dimethoxyacetophenone4101-30-868 % similar 1-[2-Amino-5-methoxy-4-(phenylmethoxy)phenyl]ethanone75665-73-559 % similar 1-(2-Aminophenyl)ethan-1-one hydrochloride25384-14-954 % similar 5-Acetyl-1,3-benzodioxole3162-29-653 % similar 1-(7-Bromo-2,3-dihydro-1,4-benzodioxin-6-yl)ethan-1-one59820-90-548 % similar 2'-Aminoacetophenone551-93-946 % similar 1-(2-Amino-4-methoxyphenyl)ethan-1-one42465-53-245 % similar 2-Amino-4,5-bis(2-methoxyethoxy)benzoic acid ethyl ester hydrochloride183322-17-045 % similar

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

Same formula

4-Amino-5-chloro-2-ethoxybenzoic acid108282-38-8 3-Chloro-L-tyrosine7423-93-0

Elsewhere

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