Basic information
- CAS
874800-95-0- Standard SMILES
O=C(O)C1CCN(C2CN(C(c3ccccc3)c3ccccc3)C2)CC1- InChIKey
XLTBXJDMKCQGPN-UHFFFAOYSA-N- Molecular formula
- C22H26N2O2
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.19942808
Names & identifiers
- Preferred name
- 1-[1-(Diphenylmethyl)azetidin-3-yl]piperidine-4-carboxylic acid
- IUPAC
- 1-(1-benzhydrylazetidin-3-yl)piperidine-4-carboxylic acid
- English name
- BUTTPARK 75\04-63
- Molecular formula
- C22H26N2O2
- Molecular weight
- 350.45
Names & synonyms
1-[1-(diphenylmethyl)azetidin-3-yl]piperidine-4-carboxylic acid874800-95-01-(1-benzhydrylazetidin-3-yl)piperidine-4-carboxylic acidSCHEMBL493687DTXSID50635366XLTBXJDMKCQGPN-UHFFFAOYSA-NBUTTPARK 75\04-634-Piperidinecarboxylic acid, 1-[1-(diphenylmethyl)-3-azetidinyl]-1-DiphenMethyl-3-(4'-ethylcarbonyl-1-piperidine)azetidin hydrochloride
Database identifiers
- CAS
874800-95-0- PubChem CID
- 23658952
- DTXSID
DTXSID50635366
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 439
Physicochemical properties
- Boiling point
- 502.5 · 502.5±50.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- pka
- 4.54 · 4.54±0.20(Predicted)
Chemistry & industry
Suppliers4 total
Shanghai Gubang New Materail Technology Co. LTD21-51317962 +86-18721305404 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海固帮新材料科技有限公司021-51317962 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
3 records
Compound notes
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