1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone

C₁₁H₁₄N₂OCAS 57756-36-2190.25 g/mol

Open in Covalent MOL file

Amide Secondary amine

Properties

Molecular formula: C₁₁H₁₄N₂O
Molar mass: 190.25 g/mol
Exact mass: 190.1106 Da
Melting point: 85 °C
logP: 1.46Crippen estimate
Polar surface area: 32.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

57756-36-2

SMILES

CC(=O)N1CCNc2ccccc2C1

InChIKey

MXBURCRAYKPWBR-UHFFFAOYSA-N

InChI

InChI=1S/C11H14N2O/c1-9(14)13-7-6-12-11-5-3-2-4-10(11)8-13/h2-5,12H,6-8H2,1H3

Weigh it out

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

Names and synonyms

5 names

Ethanone, 1-(1,2,3,5-tetrahydro-4H-1,4-benzodiazepin-4-yl)-
1H-1,4-Benzodiazepine, 4-acetyl-2,3,4,5-tetrahydro-
4-Acetyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
1-(1,2,3,5-Tetrahydro-1,4-benzodiazepin-4-yl)ethanone
1-(2,3,4,5-Tetrahydro-1H-1,4-benzodiazepin-4-yl)ethan-1-one

Work with 1-(1,2,3,5-Tetrahydro-4H-1,4-benzodiazepin-4-yl)ethanone

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

Same formula

1-Phenyl-4,4-dimethyl-3-pyrazolidone2654-58-2 L-Tryptophanol2899-29-8 6-Methoxytryptamine3610-36-4 Cytisine485-35-8 5-Methoxytryptamine608-07-1 2-(1-Piperazinyl)benzaldehyde736991-52-9 3-[(2-Hydroxyethyl)phenylamino]propanenitrile92-64-8

Elsewhere

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