2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline
Basic information
- CAS
21535-56-8- Standard SMILES
c1ccc2c(c1)CCC1CNCCN21- InChIKey
CHIINPDGHUONJZ-UHFFFAOYSA-N- Molecular formula
- C12H16N2
- Average molar mass
- 188.27 g/mol
- Monoisotopic mass
- 188.13134852
Names & identifiers
- Preferred name
- 2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinoline
- IUPAC
- 2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline
Names & synonyms
21535-56-82,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]quinoline2,3,4,4a,5,6-hexahydro-1H-pyrazino(1,2-a)quinolineRefChem:441613848-546-6182208-61-31H-Pyrazino[1,2-a]quinoline, 2,3,4,4a,5,6-hexahydro-MFCD19374394182208-68-0(-)-2,3,4,4a,5,6-Hexahydro-1H-pyrazino[1,2-a]quinoline1H,2H,3H,4H,4AH,5H,6H-PIPERAZINO[1,2-A]QUINOLINEstarbld0039883
Show more names
1H-Pyrazino[1,2-a]quinoline,2,3,4,4a,5,6-hexahydro-,(-)-(9CI)SCHEMBL1365103SCHEMBL3265754SCHEMBL303968091H-Pyrazino[1,2-a]quinoline,2,3,4,4a,5,6-hexahydro-,(+)-(9CI)EBC-13983SY492520EN300-2688116
Database identifiers
- CAS
21535-56-8- PubChem CID
- 117355
- EC Number
- 848-546-6
- Nikkaji
- J775.175C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
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Related reactions
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Compound notes
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