1,2,3,4-Tetrahydro-7-nitroisoquinoline

C₉H₁₀N₂O₂CAS 42923-79-5178.19 g/mol

Open in Covalent MOL file

Nitro Secondary amine

Properties

Molecular formula: C₉H₁₀N₂O₂
Molar mass: 178.19 g/mol
Exact mass: 178.0742 Da
logP: 1.24Crippen estimate
Polar surface area: 55.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

42923-79-5

SMILES

O=[N+]([O-])c1ccc2c(c1)CNCC2

InChIKey

YPRWYZSUBZXORL-UHFFFAOYSA-N

InChI

InChI=1S/C9H10N2O2/c12-11(13)9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10H,3-4,6H2

Weigh it out

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

Names and synonyms

1 names

Isoquinoline, 1,2,3,4-tetrahydro-7-nitro-

Work with 1,2,3,4-Tetrahydro-7-nitroisoquinoline

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

6-Nitroindoline19727-83-461 % similar 5-Nitroindoline32692-19-661 % similar 2,7-Dinitrofluorene5405-53-851 % similar 5-Nitro-2-indanone116530-60-050 % similar 6-Nitro-isoindolin-1-one110568-64-449 % similar 7-Nitro-1-tetralone40353-34-248 % similar Benzenemethanamine, 4-nitro-N-propyl-, hydrochloride (1:1)68133-98-248 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-647 % similar

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

Same formula

2,2-Dimethyl-2H-pyrido[3,2-B]-1,4-oxazin-3(4H)-one20348-21-4 2-Amino-4,5-dimethoxybenzonitrile26961-27-3 1-Ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile28141-13-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook