Basic information
- CAS
1154890-30-8- Standard SMILES
Fc1ccc(CNC2CCOCC2)cc1- InChIKey
AWGLYZFIAAEFSE-UHFFFAOYSA-N- Molecular formula
- C12H16FNO
- Average molar mass
- 209.26 g/mol
- Monoisotopic mass
- 209.1215923
Names & identifiers
- Preferred name
- N-((4-fluorophenyl)methyl)oxan-4-amine
- IUPAC
- N-[(4-fluorophenyl)methyl]oxan-4-amine
Names & synonyms
N-[(4-fluorophenyl)methyl]oxan-4-amine1154890-30-8N-((4-fluorophenyl)methyl)oxan-4-amineRefChem:823054992-670-4SCHEMBL17605614AWGLYZFIAAEFSE-UHFFFAOYSA-NEWB89030MFCD12087570AKOS009624460DB-101485CS-0236022
Show more names
EN300-166545N-(4-fluorobenzyl)tetrahydro-2H-pyran-4-amineN-[(4-fluorophenyl)methyl]tetrahydropyran-4-amineA1-24270
Database identifiers
- CAS
1154890-30-8- PubChem CID
- 28958487
- EC Number
- 992-670-4
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 174
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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