Basic information
- CAS
1311317-06-2- Standard SMILES
c1cnn(CC2CNCCO2)c1- InChIKey
LWBBFLJNOWLMTE-UHFFFAOYSA-N- Molecular formula
- C8H13N3O
- Average molar mass
- 167.21 g/mol
- Monoisotopic mass
- 167.10586205
Names & identifiers
- Preferred name
- Morpholine, 2-(1H-pyrazol-1-ylmethyl)-
- IUPAC
- 2-(pyrazol-1-ylmethyl)morpholine
Names & synonyms
1311317-06-22-[(1H-pyrazol-1-yl)methyl]morpholineDTXSID001284455Morpholine, 2-(1H-pyrazol-1-ylmethyl)-2-((1H-pyrazol-1-yl)methyl)morpholineRefChem:819457DTXCID801714933863-821-02-(1H-pyrazol-1-ylmethyl)morpholine2-(PYRAZOL-1-YLMETHYL)MORPHOLINELCC31706AKOS006281846
Show more names
EN300-71170Z1138834350
Database identifiers
- CAS
1311317-06-2- PubChem CID
- 54592633
- DTXSID
DTXSID001284455- EC Number
- 863-821-0
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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