Basic information
- CAS
1038712-68-3- Standard SMILES
Fc1ccccc1CCNC1=NCCS1- InChIKey
RSKQQIZQZYSYSZ-UHFFFAOYSA-N- Molecular formula
- C11H13FN2S
- Average molar mass
- 224.3 g/mol
- Monoisotopic mass
- 224.07834776
Names & identifiers
- Preferred name
- N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
- IUPAC
- N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
- English name
- N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine
- Molecular formula
- C11H13FN2S
- Molecular weight
- 224.3
Names & synonyms
N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-1,3-thiazol-2-amine1038712-68-3N-(2-(2-fluorophenyl)ethyl)-4,5-dihydro-1,3-thiazol-2-amineRefChem:824675991-698-4NRB71268AKOS008119753CS-0252172EN300-59220G43413Z3676609702-Thiazolamine, N-[2-(2-fluorophenyl)ethyl]-4,5-dihydro-
Database identifiers
- CAS
1038712-68-3- PubChem CID
- 29068158
- EC Number
- 991-698-4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Boiling point
- 350.2 · 350.2±44.0 °C(Predicted)
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 7.28 · 7.28±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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