1,2,3,4,5,6,7,8-Octahydroacridine

C₁₃H₁₇NCAS 1658-08-8187.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₃H₁₇N
Molar mass: 187.29 g/mol
Exact mass: 187.1361 Da
Melting point: 69 °C
Boiling point: 191–192 °C (at 22 Torr)
logP: 2.84Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

1658-08-8

SMILES

c1c2c(nc3c1CCCC3)CCCC2

InChIKey

LLCXJIQXTXEQID-UHFFFAOYSA-N

InChI

InChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9H,1-8H2

Weigh it out

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

Names and synonyms

2 names

Acridine, 1,2,3,4,5,6,7,8-octahydro-
Octahydroacridine

Work with 1,2,3,4,5,6,7,8-Octahydroacridine

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

5,6,7,8-Tetrahydroquinoxaline34413-35-941 % similar 5,6,7,8-Tetrahydroquinoline10500-57-941 % similar Tetralin119-64-236 % similar 6,7-Dihydro-5H-cyclopenta[B]pyridine533-37-936 % similar 1,2,3,4,5,6,7,8-Octahydrophenanthrene5325-97-335 % similar 2,4-Dichloro-5,6,7,8-tetrahydroquinazoline1127-85-133 % similar 5,6,7,8-Tetrahydroisoquinoline36556-06-633 % similar 5,6,7,8-Tetrahydro-2-naphthol1125-78-632 % similar

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

Same formula

Selegiline14611-51-9 1-Butyl-2-methyl-1H-indole42951-35-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook