7-Amino-6-hydroxy-6,7,8,9-tetrahydro-2,9a-diazabenzo[cd]azulen-1(2H)-one hydrochloride

C₁₁H₁₄ClN₃O₂CAS 1021910-71-3255.70 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₁₁H₁₄ClN₃O₂
Molar mass: 255.70 g/mol
Exact mass: 255.0775 Da
logP: 0.52Crippen estimate
Polar surface area: 84.0 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

1021910-71-3

SMILES

C1CN2C3=C(C=CC=C3NC2=O)C(C1N)O.Cl

InChIKey

BUWHTDOMEWTYMU-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N3O2.ClH/c12-7-4-5-14-9-6(10(7)15)2-1-3-8(9)13-11(14)16;/h1-3,7,10,15H,4-5,12H2,(H,13,16);1H

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Names and synonyms

1 names

Imidazo[4,5,1-jk][1]benzazepin-2(1H)-one, 6-amino-4,5,6,7-tetrahydro-7-hydroxy- (hydrochloride)

Work with 7-Amino-6-hydroxy-6,7,8,9-tetrahydro-2,9a-diazabenzo[cd]azulen-1(2H)-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

5,6-Dihydroimidazo(4,5,1-jk)(1)benzazepine-2,7(1h,4h)-dione92260-81-642 % similar 4,5-Dihydro-6-oxime-imidazo[4,5,1-jk][1]benzazepine-2,6,7(1H)-trione92260-82-740 % similar Zilpaterol hydrochloride119520-06-835 % similar 2-Oxo-1-benzimidazolinebutyric acid3273-68-532 % similar Flibanserin hydrochloride147359-76-031 % similar Zilpaterol117827-79-930 % similar

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

Elsewhere

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