Basic information
- CAS
2219407-33-5- Standard SMILES
FC1(F)CNCCCN(Cc2ccccc2)C1- InChIKey
NYWNXZFRTILXHX-UHFFFAOYSA-N- Molecular formula
- C13H18F2N2
- Average molar mass
- 240.29 g/mol
- Monoisotopic mass
- 240.14380491
Names & identifiers
- Preferred name
- 1-Benzyl-3,3-difluoro-1,5-diazocane
- IUPAC
- 1-benzyl-3,3-difluoro-1,5-diazocane
Names & synonyms
1-Benzyl-3,3-difluoro-1,5-diazocane2219407-33-5RefChem:429800894-325-2starbld0040580AKOS034180444EN300-1654451Z3038054258
Database identifiers
- CAS
2219407-33-5- PubChem CID
- 136575889
- EC Number
- 894-325-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 15.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 227
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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