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

C13H17NCAS 1658-08-8187.29 g/mol

Open in Covalent MOL file
N

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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Tetrahydro-2-methylquinoline2617-98-348 % similar 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

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Selegiline14611-51-9 1-Benzyl-4-methyl-1,2,3,6-tetrahydro-pyridine32018-56-7 1-Butyl-2-methyl-1H-indole42951-35-9

Elsewhere

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