rel-(4aR,8aR)-Decahydroquinoline
Basic information
- CAS
10343-99-4- Standard SMILES
C1CC[C@H]2NCCC[C@H]2C1- InChIKey
POTIYWUALSJREP-RKDXNWHRSA-N- Molecular formula
- C9H17N
- Average molar mass
- 139.24 g/mol
- Monoisotopic mass
- 139.13609955
Names & identifiers
- Preferred name
- rel-(4aR,8aR)-Decahydroquinoline
- IUPAC
- (4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
- English name
- cis-decahydroquinoline
- Molecular formula
- C9H17N
- Molecular weight
- 139.24
Names & synonyms
10343-99-4RefChem:379167rel-(4aR,8aR)-Decahydroquinoline(4aR,8aR)-decahydroquinolinecis-Decahydroquinoline(4aR,8aR)-rel-Decahydroquinoline115730-30-8(4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolineRac-(4aR,8aR)-decahydroquinolineEINECS 233-752-5cis-DecahydrochinolinMFCD00137756
Show more names
cis-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline
Quinoline, decahydro-, (4aR,8aR)-rel-AI3-16561SCHEMBL242797(A+/-)-cis-decahydroquinolineSCHEMBL6997706POTIYWUALSJREP-RKDXNWHRSA-NAKOS026741922BS-26096
Database identifiers
- CAS
10343-99-4- PubChem CID
- 66313
- EC Number
- 233-752-5
- Nikkaji
- J221.346J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- -40 °C · -40°C
- Boiling point
- 245.24 °C · 245.24°C (rough estimate)
- Density
- 0.9426 · 0.9426
- refractive index
- 1.4926 · 1.4926 (estimate)
- pka
- 10.85 · 10.85±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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