Tert-butyl 6-amino-3-azabicyclo[3.2.0]heptane-3-carboxylate
Basic information
- CAS
1427453-91-5- Standard SMILES
CC(C)(C)OC(=O)N1CC2CC(N)C2C1- InChIKey
IIZSRECJUBGQCE-UHFFFAOYSA-N- Molecular formula
- C11H20N2O2
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.15247789
Names & identifiers
- Preferred name
- Tert-butyl 6-amino-3-azabicyclo[3.2.0]heptane-3-carboxylate
- IUPAC
- tert-butyl 6-amino-3-azabicyclo[3.2.0]heptane-3-carboxylate
- English name
- 3-BOC-6-AMINO-3-AZABICYCLO[3.2.0]HEPTANE
- Molecular formula
- C11H20N2O2
- Molecular weight
- 212.29
Names & synonyms
1427453-91-5TERT-BUTYL 6-AMINO-3-AZABICYCLO[3.2.0]HEPTANE-3-CARBOXYLATEtert-butyl 6-amino-3-azabicyclo(3.2.0)heptane-3-carboxylateRefChem:894346965-441-13-BOC-6-AMINO-3-AZABICYCLO[3.2.0]HEPTANE1250884-66-2MFCD19686113tert-Butyl6-amino-3-azabicyclo[3.2.0]heptane-3-carboxylate3-Boc-6-amino-3-aza-bicyclo[3.2.0]heptaneSCHEMBL23091647CHC45391
Show more names
1,1-Dimethylethyl 6-amino-3-azabicyclo[3.2.0]heptane-3-carboxylate3-Azabicyclo[3.2.0]heptane-3-carboxylic acid, 6-amino-, 1,1-dimethylethyl estertert-butyl 6-amino-3-azabicyclo[3.2.0]heptane-3-carboxylate, Mixture of diastereomers
AKOS026740732PB18287AS-34534SY2592623-Boc-3-azabicyclo[3.2.0]heptan-6-amineCS-0046603EN300-295790F467940
Database identifiers
- CAS
1427453-91-5- PubChem CID
- 72207367
- EC Number
- 965-441-1
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- 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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