1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one
Basic information
- CAS
69042-25-7- Standard SMILES
O=C1CCN(Cc2ccccc2)C2CCCC12- InChIKey
DNNHYPIBLFCZEZ-UHFFFAOYSA-N- Molecular formula
- C15H19NO
- Average molar mass
- 229.32 g/mol
- Monoisotopic mass
- 229.14666423
Names & identifiers
- Preferred name
- 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one
- IUPAC
- 1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
- English name
- 1-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one
- Molecular formula
- C15H19NO
- Molecular weight
- 229.32
Names & synonyms
69042-25-71-Benzylhexahydro-1H-cyclopenta[b]pyridin-4(4aH)-one1-Benzyl-octahydro-[1]pyrindin-4-oneMFCD066183591-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one1-benzyl-octahydro-1H-cyclopenta[b]pyridin-4-one5-benzyl-5-azabicyclo[4.3.0]nonan-2-oneSCHEMBL31166030DNNHYPIBLFCZEZ-UHFFFAOYSA-NUCA04225SBB013535STK687319
Show more names
1-Benzyl-octahydro-1H-1-pyrindin-4-on
AKOS005600221SB38339ST4123798CS-0342424EN300-2269751-benzyloctahydro-4H-cyclopenta[b]pyridin-4-one4H-Cyclopenta[b]pyridin-4-one, octahydro-1-(phenylmethyl)-1-benzyloctahydro-4H-cyclopenta[b]pyridin-4-one--hydrogen chloride (1/1)
Database identifiers
- CAS
69042-25-7- PubChem CID
- 4912939
- EC Number
- 156-218-2
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 135 °C · 135 °C(Press: 0.01 Torr)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 7.02 · 7.02±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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