Basic information
- CAS
1310558-47-4- Standard SMILES
NC1CCN(c2nc(Cl)ncc2F)C1- InChIKey
OMPPWUACLONIIR-UHFFFAOYSA-N- Molecular formula
- C8H10ClFN4
- Average molar mass
- 216.64 g/mol
- Monoisotopic mass
- 216.0578022
Names & identifiers
- Preferred name
- 1-(2-Chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine
- IUPAC
- 1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine
Names & synonyms
1-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidin-3-amine1310558-47-4RefChem:421752969-235-2OMPPWUACLONIIR-UHFFFAOYSA-NKCC55847SBB074390STL433305AKOS016347729CS-0256451EN300-64888221-(2-chloro-5-fluoropyrimidin-4-yl)pyrrolidine-3-ylamine
Show more names
3-Pyrrolidinamine, 1-(2-chloro-5-fluoro-4-pyrimidinyl)-, hydrochloride (1:2)
Database identifiers
- CAS
1310558-47-4- PubChem CID
- 51138331
- EC Number
- 969-235-2
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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