1-[3-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine
Basic information
- CAS
1501527-36-1- Standard SMILES
NCc1cn[nH]c1-c1cccc(F)c1- InChIKey
FKLOOHRTPTXWKO-UHFFFAOYSA-N- Molecular formula
- C10H10FN3
- Average molar mass
- 191.2 g/mol
- Monoisotopic mass
- 191.08587549
Names & identifiers
- Preferred name
- 1-[3-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine
- IUPAC
- [5-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamine
Names & synonyms
1501527-36-11-(3-(3-fluorophenyl)-1H-pyrazol-4-yl)methanamine1-[3-(3-fluorophenyl)-1H-pyrazol-4-yl]methanamineRefChem:423042986-584-6[3-(3-FLUOROPHENYL)-1H-PYRAZOL-4-YL]METHANAMINE[5-(3-Fluorophenyl)-1H-pyrazol-4-yl]methanamine(3-(3-Fluorophenyl)-1H-pyrazol-4-yl)methanaminestarbld0048725MFCD21937116AKOS018042366SY466396
Show more names
CS-0236413[3-(3-Fluorophenyl)-4-pyrazolyl]methanamineG46679EN300-1708730
Database identifiers
- CAS
1501527-36-1- PubChem CID
- 79487322
- EC Number
- 986-584-6
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 188
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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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