Basic information
- CAS
1807939-79-2- Standard SMILES
N[C@@H]1CCCO[C@H]1c1ccncc1- InChIKey
HCFJJELKYFVCQU-ZJUUUORDSA-N- Molecular formula
- C10H14N2O
- Average molar mass
- 178.23 g/mol
- Monoisotopic mass
- 178.11061307
Names & identifiers
- Preferred name
- rac-(2R,3S)-2-(pyridin-4-yl)oxan-3-amine
- IUPAC
- (2S,3R)-2-pyridin-4-yloxan-3-amine
Names & synonyms
1807939-79-2rac-(2R,3S)-2-(pyridin-4-yl)oxan-3-amineRefChem:873534979-652-1(2S,3R)-2-Pyridin-4-yloxan-3-amineRel-(2S,3R)-2-(pyridin-4-yl)tetrahydro-2H-pyran-3-amineEN300-736688
Database identifiers
- CAS
1807939-79-2- PubChem CID
- 124709131
- EC Number
- 979-652-1
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
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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