1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one

C₁₂H₁₃NO₃CAS 73942-87-7219.24 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₃NO₃
Molar mass: 219.24 g/mol
Exact mass: 219.0895 Da
Melting point: 236–238 °C
logP: 2.19Crippen estimate
Polar surface area: 51.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation28.6% of notifiers
H319 Causes serious eye irritation28.6% of notifiers
H335 May cause respiratory irritation28.6% of notifiers
H412 Harmful to aquatic life with long lasting effects71.4% 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, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

73942-87-7

SMILES

COc1cc2c(cc1OC)CC(O)=NC=C2

InChIKey

CPNZASIAJKSBBH-UHFFFAOYSA-N

InChI

InChI=1S/C12H13NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h3-6H,7H2,1-2H3,(H,13,14)

Weigh it out

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

Names and synonyms

2 names

2H-3-Benzazepin-2-one, 1,3-dihydro-7,8-dimethoxy-
7,8-Dimethoxy-1,2-dihydro-3H-3-benzazepin-2-one

Work with 1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one

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

3,4-Dihydro-6,7-dimethoxyisoquinoline3382-18-141 % similar 1,3-Dihydro-3-(3-iodopropyl)-7,8-dimethoxy-2H-3-benzazepin-2-one148870-57-941 % similar 3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one85175-59-340 % similar 3,4-Dihydro-6,7-dimethoxyisoquinoline hydrochloride20232-39-739 % similar 3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid24160-53-039 % similar 2-Bromo-4,5-dimethoxyphenylacetic acid4697-62-538 % similar Asarone2883-98-937 % similar Beta-asarone5273-86-937 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Benzyl 3-oxopyrrolidine-1-carboxylate130312-02-6 Benzyl 3-oxocyclobutylcarbamate130369-36-7 (S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone132836-66-9 2-Butyl-5-nitrobenzofuran133238-87-6 1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid133747-57-6 (4S)-3-(1-Oxopropyl)-4-phenyl-2-oxazolidinone184363-66-4 5-Methoxy-2-methylindole-3-acetic acid2882-15-7 Benzyl 6-oxa-3-azabicyclo(3.1.0)hexane-3-carboxylate31865-25-5

Elsewhere

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