Methyl 2-azaspiro[3.3]heptane-1-carboxylate; trifluoroacetic acid
Basic information
- CAS
2866308-51-0- Standard SMILES
COC(=O)C1NCC12CCC2.O=C(O)C(F)(F)F- InChIKey
VCJCLBVNHYQVJV-UHFFFAOYSA-N- Molecular formula
- C10H14F3NO4
- Average molar mass
- 269.22 g/mol
- Monoisotopic mass
- 269.08749241
Names & identifiers
- Preferred name
- Methyl 2-azaspiro[3.3]heptane-1-carboxylate; trifluoroacetic acid
- IUPAC
- methyl 2-azaspiro[3.3]heptane-3-carboxylate;2,2,2-trifluoroacetic acid
Names & synonyms
2866308-51-0methyl 2-azaspiro[3.3]heptane-1-carboxylate; trifluoroacetic acidmethyl 2-azaspiro(3.3)heptane-1-carboxylate; trifluoroacetic acidRefChem:814132969-671-3methyl 2-azaspiro[3.3]heptane-1-carboxylate, trifluoroacetic acidMethyl 2-azaspiro[3.3]heptane-1-carboxylate 2,2,2-trifluoroacetateEN300-39913999
Database identifiers
- CAS
2866308-51-0- PubChem CID
- 166000752
- EC Number
- 969-671-3
Properties
Computed structural properties
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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