CAS 604010-60-8 Toremifene Impurity 2 (HCID 178759307)

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Basic information

CAS: 604010-60-8
Standard SMILES: C=C/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
InChIKey: AJNFVDSYBLVCQL-QPLCGJKRSA-N
Molecular formula: C26H27NO
Average molar mass: 369.5 g/mol

Names & identifiers

Preferred name: Toremifene Impurity 2
IUPAC: 2-[4-[(1Z)-1,2-diphenylbuta-1,3-dienyl]phenoxy]-N,N-dimethylethanamine
English name: Toremifene Impurity 4
Molecular formula: C26H27NO
Molecular weight: 369.51

Names & synonyms

Toremifene Impurity 2604010-60-8(Z)-2-(4-(1,2-diphenylbuta-1,3-dien-1-yl)phenoxy)-N,N-dimethylethanamineToremifene Impurity 74TriarylbutadieneToremifene ImpurityToremifene Impurity 4Toremifene Impurity 14ToremifeneImpurity3Citrate(Z)-2-(4-(1,2-diphenylbuta-1,3-dien-1-yl)phenoxy)-N,N-dimethylethan-1-amineEthanamine, 2-[4-[(1Z)-1,2-diphenyl-1,3-butadien-1-yl]phenoxy]-N,N-dimethyl-

Database identifiers

CAS: 604010-60-8

Properties

Computed structural properties

XLogP: 7.1
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 489

Physicochemical properties

Melting point: 111.5 · 111.5-112 °C(Solv: acetone (67-64-1))
Boiling point: 479.8 · 479.8±24.0 °C(Predicted)
Density: 1.051 · 1.051±0.06 g/cm3(Predicted)
pka: 8.68 · 8.68±0.28(Predicted)

Chemistry & industry

Suppliers13 total

济南百隆化学有限公司[email protected] · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]

常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]

深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]

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Compound notes

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