Decahydroquinoline
Properties
- Molecular formula
- C9H17N
- Molar mass
- 139.24 g/mol
- Exact mass
- 139.1361 Da
- Density
- 0.9147 g/mL (at 14 °C)
- Melting point
- 45.5 °C
- Boiling point
- 207–210 °C
- logP
- 1.93Crippen estimate
- Polar surface area
- 12.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed97.5% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2051-28-7SMILES
C1CCC2NCCCC2C1InChIKey
POTIYWUALSJREP-UHFFFAOYSA-NInChI
InChI=1S/C9H17N/c1-2-6-9-8(4-1)5-3-7-10-9/h8-10H,1-7H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Quinoline, decahydro-
- 2-Azabicyclo[4.4.0]decane
- Perhydroquinoline
- 1,2,3,4,4a,5,6,7,8,8a-Decahydroquinoline
Work with Decahydroquinoline
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2,2′-Bipiperidyl531-67-963 % similar
(4aS,7aS)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-40-054 % similar
(4aR,7aR)-Octahydro-1H-pyrrolo[3,4-b]pyridine151213-42-254 % similar
(2S)-2-(Diphenylmethyl)pyrrolidine119237-64-841 % similar
(R)-(+)-2-(Diphenylmethyl)pyrrolidine22348-31-841 % similar
(±)-Desoxypipradrol519-74-440 % similar
cis-Decalin493-01-639 % similar
trans-Decalin493-02-739 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.