Basic information
- CAS
1753-68-0- Standard SMILES
Oc1cc(CN2CCCCC2)c(O)cc1CN1CCCCC1- InChIKey
NGSODXNPVIELMQ-UHFFFAOYSA-N- Molecular formula
- C18H28N2O2
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.21507814
Names & identifiers
- Preferred name
- 2,5-Bis(piperidin-1-ylmethyl)benzene-1,4-diol
- IUPAC
- 2,5-bis(piperidin-1-ylmethyl)benzene-1,4-diol
- English name
- 2,5-bis(1-piperidylmethyl)benzene-1,4-diol
- Molecular formula
- C18H28N2O2
- Molecular weight
- 304.43
Names & synonyms
1753-68-02,5-bis(piperidin-1-ylmethyl)benzene-1,4-diol2,5-Bispiperidin-1-ylmethylbenzene-1,4-diol2,5-Bis-piperidin-1-ylmethyl-benzene-1,4-diol1,4-Benzenediol, 2,5-bis(1-piperidinylmethyl)-NSC137142,5-bis(1-piperidylmethyl)benzene-1,4-diol1,4-Benzenediol,2,5-bis(1-piperidinylmethyl)-Oprea1_415709Oprea1_6861472,5-bis[(piperidin-1-yl)methyl]benzene-1,4-diolSCHEMBL11037193
Show more names
DTXSID90279682NSC-13714STL191391AKOS0005178672,5-bis(piperidylmethyl)benzene-1,4-diolDS-008398CS-0336799ST50994765
Database identifiers
- CAS
1753-68-0- PubChem CID
- 224867
- DTXSID
DTXSID90279682- Nikkaji
- J3.379.753B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 295
Physicochemical properties
- Melting point
- 196 · 196-198 °C(Solv: ethanol (64-17-5))
- Boiling point
- 463.5 · 463.5±40.0 °C(Predicted)
- Density
- 1.175 · 1.175±0.06 g/cm3(Predicted)
- pka
- 10.4 · 10.40±0.48(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers4 total
HONEST JOY HOLDINGS LIMITED[email protected]
Fluorochem Ltd[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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