Basic information
- CAS
70713-45-0- Standard SMILES
C=CCN1CCN(C(c2ccccc2)c2ccccc2)CC1- InChIKey
QWGCFVBATALVAQ-UHFFFAOYSA-N- Molecular formula
- C20H24N2
- Average molar mass
- 292.4 g/mol
- Monoisotopic mass
- 292.19394877
Overview
RN given refers to parent cpd; aligeron & AS 2 are for di-HCl
Names & identifiers
- Preferred name
- Aligeron
- IUPAC
- 1-benzhydryl-4-prop-2-enylpiperazine
- English name
- Aligeron
- Molecular formula
- C20H24N2
- Molecular weight
- 292.424
Names & synonyms
Aligeron70713-45-01-(Diphenylmethyl)-4-(2-propenyl)piperazine, dihydrochlorideDTXSID50220978RefChem:110692DTXCID80143469Piperazine,1-(diphenylmethyl)-4-(2-propen-1-yl)-1-benzhydryl-4-prop-2-enylpiperazineBRN 05434561-(diphenylmethyl)-4-(prop-2-en-1-yl)piperazine1-(Diphenylmethyl)-4-(2-propenyl)piperazine1-benzhydryl-4-allylpiperazine dihydrochloride
Show more names
Piperazine, 1-(diphenylmethyl)-4-(2-propen-1-yl)-
Piperazine, 1-(diphenylmethyl)-4-(2-propenyl)-orb1693584SCHEMBL10351966VCA71345AKOS040755377CS-6748DA-70691HY-101602
Database identifiers
- CAS
70713-45-0- PubChem CID
- 166145
- DTXSID
DTXSID50220978- Nikkaji
- J476.031J
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 303
Physicochemical properties
- Boiling point
- 390.6 · 390.6±37.0 °C(Predicted)
- Density
- 1.044 · 1.044±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 6.79 · 6.79±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesAligeron is a non-selective prostaglandin (PG) antagonist, and has vasodilatory properties.
Upstream & downstream products
Downstream products
Suppliers8 total
韶关市启程生物科技有限公司18122215013 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海杰股生物科技有限公司021-51698675 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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