Basic information
- CAS
94038-26-3- Standard SMILES
O=C(O)c1ccc(N2CCN(Cc3ccccc3)CC2)cc1- InChIKey
HLZACPQJCRXAQY-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.15247789
Names & identifiers
- Preferred name
- 4-(4-benzylpiperazin-1-yl)benzoic Acid
- IUPAC
- 4-(4-benzylpiperazin-1-yl)benzoic acid
- English name
- 4-(4-Benzyl-piperazin-1-yl)-benzoic acid
- Molecular formula
- C18H20N2O2
- Molecular weight
- 296.36
Names & synonyms
94038-26-34-(4-benzylpiperazin-1-yl)benzoic Acid4-(4-BENZYL-PIPERAZIN-1-YL)-BENZOIC ACID4-(4-Benzyl-1-piperazinyl)benzoic acidMFCD06203537BENZOIC ACID,4-[4-(PHENYLMETHYL)-1-PIPERAZINYL]-SCHEMBL1066467DTXSID00406301HLZACPQJCRXAQY-UHFFFAOYSA-NAKOS0002603184-(4-benzylpiperazin-1-yl)benzoicAcidDB-079777
Show more names
AKOS BB-5317RARECHEM AL BE 1230Benzoic acid, 4-[4-(phenylmethyl)-1-piperazinyl]-
C786104-[4-(phenylmethyl)-1-piperazinyl]-benzoic acidF827454
Database identifiers
- CAS
94038-26-3- PubChem CID
- 4741724
- DTXSID
DTXSID00406301
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Melting point
- 221 · 221-229 °C
- Boiling point
- 482.4 · 482.4±45.0 °C(Predicted)
- Density
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.02 · 5.02±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
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-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501
Chemistry & industry
Suppliers5 total
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [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]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
15 records
Compound notes
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