Basic information
- CAS
748-97-0- Standard SMILES
CCC(c1ccccc1)C(O)(c1ccccc1)c1ccc(OCCN(C)C)cc1- InChIKey
VFFBJZCCXOYRNN-UHFFFAOYSA-N- Molecular formula
- C26H31NO2
- Average molar mass
- 389.5 g/mol
- Monoisotopic mass
- 389.23547923
Names & identifiers
- Preferred name
- alpha-(4-(2-(Dimethylamino)ethoxy)phenyl)-beta-ethyl-alpha-phenylbenzeneethanol
- IUPAC
- 1-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-diphenylbutan-1-ol
- English name
- alpha-[4-[2-(dimethylamino)ethoxy]phenyl]-beta-ethyl-alpha-phenylphenethyl alcohol
- Molecular formula
- C26H31NO2
- Molecular weight
- 389.53
Names & synonyms
748-97-01-(4-(2-(Dimethylamino)ethoxy)phenyl)-1,2-diphenylbutan-1-olZF9GQ0WZ9XDTXSID708623991-[4-[2-(dimethylamino)ethoxy]phenyl]-1,2-diphenylbutan-1-ol1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-1,2-DIPHENYLBUTAN-1-OLRefChem:555227DTXCID80811171alpha-(4-(2-(Dimethylamino)ethoxy)phenyl)-beta-ethyl-alpha-phenylbenzeneethanol212-023-5Tamoxifen Citrate EP Impurity B(+/-)-1,2-Diphenyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]butan-1-ol
Show more names
Tamoxifen Impurity Btamoxifen citrate impurity BTamoxifen Citrate Impurity 21-[4-(2-Dimethylamino-ethoxy)phenylTamoxifen Citrate Impurity 2（Tamoxifen Citrate EP Impurity B))-1,2-Diphenyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]butan-1-ol1-[4-(2-dimethylaminoethyloxy)phenyl]-1,2-di(phenyl)butan-1-ol(±)-1,2-Diphenyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]butan-1-ol
Tamoxifen EP Impurity Balpha-(4-(2-(Dimethylamino)ethoxy)phenyl)-beta-ethyl-alpha-phenylphenethyl alcoholalpha-[4-[2-(dimethylamino)ethoxy]phenyl]-beta-ethyl-alpha-phenylphenethyl alcoholEINECS 212-023-5UNII-ZF9GQ0WZ9X1-[4-(2-Dimethylamino-ethoxy)phenyl]-1,2-diphenylbutan-1-ol(+/-)-1,2-DIPHENYL-1-(4-(2-(DIMETHYLAMINO)ETHOXY)PHENYL)BUTAN-1-OLTamoxifen Citrate Imp. B (EP); Tamoxifen Imp. B (EP); 1-[4-(2-Dimethylamino-ethoxy)phenyl]-1,2-diphenylbutan-1-ol; Tamoxifen Citrate Impurity B; Tamoxifen Impurity B
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Melting point
- 120 · 120-121℃
- Boiling point
- 504.3 · 504.3±50.0 °C(Predicted)
- Density
- 1.085 · 1.085±0.06 g/cm3(Predicted)
- pka
- 13.31 · 13.31±0.29(Predicted)
- FDA UNII
- 9 GQ0WZ9X · ZF9GQ0WZ9X
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 350 · H350
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 27.3% (3 of 11) of reports.
Danger
H302 (45.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P264, P270, P273, P280, P301+P317, P318, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: α-[4-[2-(dimethylamino)ethoxy]phenyl]-β-ethyl-α-phenylphenethyl alcohol (EC: 212-023-5)
Hazard Classes and CategoriesAcute Tox. 4 (45.5%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H350
- REACH Registrations
- Active
Chemistry & industry
Applications
Uses(±)-1,2-Diphenyl-1-[4-[2-(dimethylamino)ethoxy]phenyl]butan-1-ol is an impurity of Tamoxifen (T006000); a selective estrogen response modifier (SERM), protein kinase C inhibitor and anti-angiogenetic factor.
Upstream & downstream products
Downstream products
Suppliers28 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
深圳卓越生物医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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