(1S,4S)-tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride
Completing data — refresh the page later to see the latest
Basic information
- CAS
1404553-01-0- Standard SMILES
CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2.Cl- InChIKey
XFBFNTNDFXDYEC-WSZWBAFRSA-N- Molecular formula
- C10H19ClN2O2
- Average molar mass
- 234.72 g/mol
- Monoisotopic mass
- 234.1135055
Names & identifiers
- Preferred name
- (1S,4S)-tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride
- IUPAC
- tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;hydrochloride
- English name
- tert-butyl(1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
- Molecular formula
- C10H17N2O2-
- Molecular weight
- 197.25418
Names & synonyms
1404553-01-0(1S,4S)-tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochlorideTERT-BUTYL (1S,4S)-2,5-DIAZABICYCLO[2.2.1]HEPTANE-2-CARBOXYLATE HYDROCHLORIDE2,5-Diazabicyclo[2.2.1]heptane-2-carboxylic acid, 1,1-dimethylethyl ester, hydrochloride (1:1), (1S,4S)-SCHEMBL1176727XFBFNTNDFXDYEC-WSZWBAFRSA-NAKOS015844484tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;hydrochlorideCS-0184911I11963EOS-624092-Methyl-2-propanyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate hydrochloride (1:1)
Database identifiers
- CAS
1404553-01-0- PubChem CID
- 44828824
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- storage temp.
- Store at Room Tem.
- 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
1 records
Compound notes
Loading…