Tert-butyl 6-hydroxy-1-azaspiro(3.3)heptane-1-carboxylate
Basic information
- CAS
1363381-56-9- Standard SMILES
CC(C)(C)OC(=O)N1CCC12CC(O)C2- InChIKey
ZWWHBQKHQHYPPF-DKTWLAJQSA-N- Molecular formula
- C11H19NO3
- Average molar mass
- 213.27 g/mol
- Monoisotopic mass
- 213.13649347
Names & identifiers
- Preferred name
- Tert-butyl 6-hydroxy-1-azaspiro(3.3)heptane-1-carboxylate
- IUPAC
- tert-butyl 6-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate
- English name
- tert-butyl cis-6-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate
- Molecular formula
- C11H19NO3
- Molecular weight
- 213.27
Names & synonyms
1363381-56-9tert-Butyl 6-hydroxy-1-azaspiro[3.3]heptane-1-carboxylateTert-butyl 6-hydroxy-1-azaspiro(3.3)heptane-1-carboxylateRefChem:894398958-226-91389264-27-01419101-19-11-BOC-6-HYDROXY-1-AZASPIRO[3.3]HEPTANEtert-butyl cis-6-hydroxy-1-azaspiro[3.3]heptane-1-carboxylatetert-butyl trans-6-hydroxy-1-azaspiro[3.3]heptane-1-carboxylate(4ALPHA,6ALPHA)-1-BOC-6-HYDROXY-1-AZASPIRO[3.3]HEPTANEMFCD22415220
Show more names
MFCD22415244cis-tert-Butyl 6-hydroxy-1-azaspiro[3.3]heptane-1-carboxylatetrans-tert-Butyl 6-hydroxy-1-azaspiro[3.3]heptane-1-carboxylateMFCD233816471-Azaspiro[3.3]heptane-1-carboxylic acid, 6-hydroxy-, 1,1-dimethylethyl ester, cis-1-Azaspiro[3.3]heptane-1-carboxylic acid, 6-hydroxy-, 1,1-dimethylethyl ester(4alpha,6beta)-1-Boc-6-hydroxy-1-azaspiro[3.3]heptanecis-1-Boc-1-azaspiro[3.3]heptan-6-ol
Database identifiers
- CAS
1363381-56-9、1419101-19-1- PubChem CID
- 72207992
- DTXSID
DTXSID701130100- EC Number
- 958-226-9
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 316.597 · 316.597±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.173 · 1.173±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.79 · 14.790±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
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…