Basic information
- CAS
85386-84-1- Standard SMILES
Fc1cccnc1N1CCNCC1- InChIKey
HPYRNHPSWLCJKD-UHFFFAOYSA-N- Molecular formula
- C9H12FN3
- Average molar mass
- 181.21 g/mol
- Monoisotopic mass
- 181.1015256
Overview
RN & structure given in first source; RN given refers to parent cpd
Names & identifiers
- Preferred name
- 1-(3-Fluoro-2-pyridinyl)piperazine
- IUPAC
- 1-(3-fluoro-2-pyridinyl)piperazine
- English name
- Piperazine, 1-(3-fluoro-2-pyridinyl)- (9CI)
- Molecular formula
- C9H12FN3
- Molecular weight
- 181.21
Names & synonyms
85386-84-11-FPP1-(3-Fluoro-2-pyridinyl)piperazineDTXSID70234552RefChem:74326DTXCID001570431-(3-fluoropyridin-2-yl)piperazineL 6441-(3-fluoro-2-pyridyl)piperazineCHEMBL48833Piperazine, 1-(3-fluoro-2-pyridinyl)-1-(3-Fluoro-2-pyridyl)piperazine; 3-Fluoro-2-(1-piperazinyl)pyridine
Show more names
L-644MSD-263-Fluoro-2-(1-piperazinyl)pyridine
PIPERAZINE, 1-(3-FLUORO-2-PYRIDINYL)- (9CI)SCHEMBL1758382HPYRNHPSWLCJKD-UHFFFAOYSA-NBDBM50027024EBC-08164GS07641-(3-Fluoropyridin-2-yl);piperazineAKOS012026612
Database identifiers
- CAS
85386-84-1- PubChem CID
- 134987
- DTXSID
DTXSID70234552- ChEMBL
CHEMBL48833- EC Number
- 818-514-6
- Nikkaji
- J227.966E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 295.9 · 295.9±35.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.36 · 8.36±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 302 · H302-H314-H315
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P332+P317, P362+P364, P363, 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
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H302-H314-H315
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers4 total
海济医药科技（苏州）有限公司18012778619 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
Related reactions
13 records
Compound notes
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