Tert-butyl 3-[(4-aminopiperidin-1-yl)methyl]azetidine-1-carboxylate
Basic information
- CAS
1824013-04-8- Standard SMILES
CC(C)(C)OC(=O)N1CC(CN2CCC(N)CC2)C1- InChIKey
PVUIJCMOZCACMI-UHFFFAOYSA-N- Molecular formula
- C14H27N3O2
- Average molar mass
- 269.38 g/mol
- Monoisotopic mass
- 269.21032711
Names & identifiers
- Preferred name
- Tert-butyl 3-[(4-aminopiperidin-1-yl)methyl]azetidine-1-carboxylate
- IUPAC
- tert-butyl 3-[(4-aminopiperidin-1-yl)methyl]azetidine-1-carboxylate
Names & synonyms
1824013-04-8tert-butyl 3-[(4-aminopiperidin-1-yl)methyl]azetidine-1-carboxylate
Database identifiers
- CAS
1824013-04-8- PubChem CID
- 177792001
- EC Number
- 170-609-5
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 58.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 313
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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