Benzo-1,3-dioxole-5-methylamine

C₈H₉NO₂CAS 2620-50-0151.16 g/mol

Open in Covalent MOL file

Acetal Ether Primary amine

Properties

Molecular formula: C₈H₉NO₂
Molar mass: 151.16 g/mol
Exact mass: 151.0633 Da
Boiling point: 137–140 °C (at 13 Torr)
logP: 0.87Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage11.5% of notifiers
H315 Causes skin irritation86.5% of notifiers
H319 Causes serious eye irritation86.5% of notifiers
H335 May cause respiratory irritation86.5% of notifiers

Aggregated from 52 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, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

2620-50-0

SMILES

NCc1ccc2c(c1)OCO2

InChIKey

ZILSBZLQGRBMOR-UHFFFAOYSA-N

InChI

InChI=1S/C8H9NO2/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3H,4-5,9H2

Weigh it out

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

Names and synonyms

17 names · show all

1,3-Benzodioxole-5-methanamine
Piperonylamine
1-(Aminomethyl)-3,4-(methylenedioxy)benzene
3,4-(Methylenedioxy)benzylamine
1,3-Benzodioxol-5-ylmethylamine
3,4-Methylenedioxyphenylmethylamine
1,3-Benzodioxol-5-ylmethanamine
[(Benzodioxol-5-yl)methyl]amine
NSC 75851
5-Aminomethyl-1,3-benzodioxole
1-(1,3-Benzodioxol-5-yl)methanamine
(Benzo[d][1,3]dioxol-5-yl)methanamine
[(Benzo[d][1,3]dioxol-5-yl)methyl]amine
3′,4′-(Methylenedioxy)benzylamine
C-(Benzo[1,3]dioxol-5-yl)methylamine
(1,3-Dioxaindan-5-yl)methanamine
2H-1,3-Benzodioxol-5-ylmethanamine

Work with Benzo-1,3-dioxole-5-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

Similar compounds

2,3-Dihydro-1,4-benzodioxin-6-methylamine17413-10-477 % similar 1,3-Benzodioxole-5-ethanamine1484-85-166 % similar 3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-159 % similar Piperonyl chloride20850-43-559 % similar Piperonyl alcohol495-76-159 % similar Veratrylamine5763-61-157 % similar 3,4-(Methylenedioxy)phenylacetonitrile4439-02-553 % similar 2,3-Dihydro-1-benzofuran-5-ylmethanamine55745-74-953 % similar

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

Same formula

1-Ethyl-4-nitrobenzene100-12-9 N-Phenylglycine103-01-5 Acetaminophen103-90-2 4-(Methylamino)benzoic acid10541-83-0 N-Methylanthranilic acid119-68-6 4-Aminophenylacetic acid1197-55-3 2,6-Dimethyl-4-nitrosophenol13331-93-6 Methyl anthranilate134-20-3

Elsewhere

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