2-Oxa-5-azabicyclo[2.2.1]heptane hydrochloride
Completing data — refresh the page later to see the latest
Basic information
- CAS
909186-56-7- Standard SMILES
C1OC2CNC1C2.Cl- InChIKey
ZFOKPFPITUUCJX-UHFFFAOYSA-N- Molecular formula
- C5H10ClNO
- Average molar mass
- 135.59 g/mol
- Monoisotopic mass
- 135.0450916
Names & identifiers
- Preferred name
- 2-Oxa-5-azabicyclo[2.2.1]heptane hydrochloride
- IUPAC
- 2-oxa-5-azabicyclo[2.2.1]heptane;hydrochloride
- English name
- 2-Oxa-5-azabicyclo[2.2.1]heptane, hydrochloride (1:1)
- Molecular formula
- C5H10ClNO
- Molecular weight
- 135.59
Names & synonyms
2-oxa-5-azabicyclo[2.2.1]heptane hydrochloride2-Oxa-5-azabicyclo(2.2.1)heptane hydrochlorideRefChem:477332885-690-9909186-56-72-OXA-5-AZABICYCLO[2.2.1]HEPTANE HCLMFCD077986422-oxa-5-aza-bicyclo[2.2.1]heptane hydrochloride2-oxa-5-azabicyclo[2.2.1]heptane;hydrochlorideSCHEMBL168292-Oxa-5-azabicyclo[2.2.1]heptane, hydrochloride (1DTXSID40619998
Show more names
2-oxy-5-azabiscyclo[2.2.1]heptylalkanehydrochloride2-Oxa-5-azabicyclo[2.2.1]heptane, hydrochloride (1:1)
ZFOKPFPITUUCJX-UHFFFAOYSC1961AKOS000276671AKOS016842427FO07849PB12929SB20759DS-15694
Database identifiers
- CAS
909186-56-7- PubChem CID
- 21914364
- DTXSID
DTXSID40619998- EC Number
- 885-690-9
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 84
Physicochemical properties
- storage temp.
- Inert atmosphere,Room Temperature
- Appearance
- White to off-white Solid
- CAS DataBase Reference
- 909186 · 909186-56-7
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2932190090 · 2932190090
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)
Safety data
- hs_code
- 2932190090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses2-Oxa-5-azabicyclo[2.2.1]heptane hydrochloride is used as a reactant in the preparation of diaza/aza/phthalazines as p38 kinase inhibitors for treating inflammations.
Related reactions
4 records
Compound notes
Loading…