2-(3-(tert-Butoxycarbonyl)-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
1198466-23-7- Standard SMILES
CC(C)(C)OC(=O)N1CC2CCCC(C1)C2CC(=O)O- InChIKey
CASFFNDFGPQZBF-UHFFFAOYSA-N- Molecular formula
- C15H25NO4
- Average molar mass
- 283.36 g/mol
- Monoisotopic mass
- 283.17835828
Names & identifiers
- Preferred name
- 2-(3-(tert-Butoxycarbonyl)-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid
- IUPAC
- 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.3.1]nonan-9-yl]acetic acid
- English name
- 2-(3-(Tert-Butoxycarbonyl)-3-Azabicyclo[3.3.1]Nonan-9-Yl)Acetic Acid
- Molecular formula
- C15H25NO4
- Molecular weight
- 283.36
Names & synonyms
1198466-23-72-(3-(tert-Butoxycarbonyl)-3-azabicyclo[3.3.1]nonan-9-yl)acetic acid2-{3-[(tert-butoxy)carbonyl]-3-azabicyclo[3.3.1]nonan-9-yl}acetic acid2-[3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.3.1]nonan-9-yl]acetic acidMFCD170166722-(3-(tert-butoxycarbonyl)-3-azabicyclo[3.3.1]nonan-9-yl)aceticacid2-(3-tert-butoxycarbonyl-3-azabicyclo[3.3.1]nonan-9-yl)acetic acidAKOS027428904AS-72405CS-0441952W14524EN300-1071453
Show more names
3-Azabicyclo[3.3.1]nonane-9-acetic acid, 3-[(1,1-dimethylethoxy)carbonyl]-2-(3-(Tert-Butoxycarbonyl)-3-Azabicyclo[3.3.1]Nonan-9-Yl)Acetic Acid(WX120012)
Database identifiers
- CAS
1198466-23-7- PubChem CID
- 44595486
Properties
Computed structural propertiesFilling in
- XLogP
- 2.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Physicochemical properties
- Boiling point
- 419.2 · 419.2±18.0 °C(Predicted)
- Density
- 1.128 · 1.128±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- pka
- 4.62 · 4.62±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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