Basic information
- CAS
2171965-43-6- Standard SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)COCC(CN)O2- InChIKey
PHAPVYMZJHFXMB-UHFFFAOYSA-N- Molecular formula
- C14H26N2O4
- Average molar mass
- 286.37 g/mol
- Monoisotopic mass
- 286.18925731
Names & identifiers
- Preferred name
- Tert-butyl 2-(aminomethyl)-1,4-dioxa-9-azaspiro[5.5]undecane-9-carboxylate
- IUPAC
- tert-butyl 2-(aminomethyl)-1,4-dioxa-9-azaspiro[5.5]undecane-9-carboxylate
Names & synonyms
2171965-43-6Tert-butyl 2-(aminomethyl)-1,4-dioxa-9-azaspiro[5.5]undecane-9-carboxylateWLD96543tert-butyl2-(aminomethyl)-1,4-dioxa-9-azaspiro[5.5]undecane-9-carboxylateF91749EN300-1277762
Database identifiers
- CAS
2171965-43-6- PubChem CID
- 146080997
- EC Number
- 117-395-1
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 74 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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