Basic information
- CAS
55436-41-4- Standard SMILES
c1cc2c(cc1CN1CCN(Cc3ccc4c(c3)OCO4)CC1)OCO2- InChIKey
YVSQILWSGSVLFA-UHFFFAOYSA-N- Molecular formula
- C20H22N2O4
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.15795719
Names & identifiers
- Preferred name
- 1,4-Bis(1,3-benzodioxol-5-ylmethyl)piperazine
- IUPAC
- 1,4-bis(1,3-benzodioxol-5-ylmethyl)piperazine
- English name
- 1,4-bis(benzo[1,3]dioxol-5-ylmethyl)piperazine
- Molecular formula
- C20H22N2O4
- Molecular weight
- 354.4
Names & synonyms
55436-41-41,4-Bis(1,3-benzodioxol-5-ylmethyl)piperazine1,4-bis(benzo[d][1,3]dioxol-5-ylmethyl)piperazinePiperazine,1,4-bis(1,3-benzodioxol-5-ylmethyl)-Piperazine, 1,4-bis(1,3-benzodioxol-5-ylmethyl)-BRN 0900168NSC87032Piribedil Impurity N4NCIOpen2_009473Oprea1_179729Oprea1_864125SCHEMBL108678
Show more names
Pibedil impurity 3Pyribedil impurity 31,4-bis(benzo[1,3]dioxol-5-ylmethyl)piperazine
DTXSID20204008YVSQILWSGSVLFA-UHFFFAOYSA-NNSC 87032NSC-87032STK145185WAY-115372-AAKOS000554234DB-322675
Database identifiers
- CAS
55436-41-4- PubChem CID
- 96702
- DTXSID
DTXSID20204008
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 429
Physicochemical properties
- Melting point
- 155 · 155-156 °C(Solv: ethanol (64-17-5))
- Boiling point
- 482.8 · 482.8±40.0 °C(Predicted)
- Density
- 1.324 · 1.324±0.06 g/cm3(Predicted)
- pka
- 6.97 · 6.97±0.10(Predicted)
Chemistry & industry
Suppliers18 total
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
武汉壹加壹生物科技有限公司027-027-16602739303 16602739303 · [email protected]
武汉多普乐生物医药有限公司+86-02787215551 19945035818 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
南雄市普强生物科技有限公司15702096460 13602449734 · [email protected]
湖北瑞诺医药科技有限公司13165688766 · [email protected]
广州市桐晖药业有限公司020-66392521-118 18922260391 · [email protected]
河南伊诺凯新材料有限公司15565215982 15565215982 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
Related reactions
8 records
Compound notes
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