3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride

C₁₆H₂₁ClN₂OCAS 99614-70-7292.81 g/mol

Open in Covalent MOL file

Ketone Tertiary amine

Properties

Molecular formula: C₁₆H₂₁ClN₂O
Molar mass: 292.81 g/mol
Exact mass: 292.1342 Da
logP: 2.91Crippen estimate
Polar surface area: 25.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H290 May be corrosive to metals92.9% of notifiers
H301 Toxic if swallowed92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P234, P264, P270, P301+P316, P321, P330, P390, P405, P406, P501

Identifiers

CAS number

99614-70-7

SMILES

CN(C)CC1CCc2c(c3ccccc3n2C)C1=O.Cl

InChIKey

GFQLILQFQHMEPF-UHFFFAOYSA-N

InChI

InChI=1S/C16H20N2O.ClH/c1-17(2)10-11-8-9-14-15(16(11)19)12-6-4-5-7-13(12)18(14)3;/h4-7,11H,8-10H2,1-3H3;1H

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Names and synonyms

2 names

4H-Carbazol-4-one, 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-, hydrochloride (1:1)
4H-Carbazol-4-one, 3-[(dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-, monohydrochloride

Work with 3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-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

Similar compounds

Ondansetron hydrochloride99614-01-460 % similar Zofran103639-04-957 % similar Ondansetron116002-70-155 % similar Ondansetron99614-02-555 % similar 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one27387-31-145 % similar 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-b]indol-1-one122852-75-941 % similar Alosetron hydrochloride122852-69-141 % similar Ramosetron hydrochloride132907-72-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(R)-2-[2-(4-Aminophenyl)ethylamino]-1-phenylethanol hydrochloride521284-22-0 Leucine 2-naphthylamide hydrochloride893-36-7

Elsewhere

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