Basic information
- CAS
761440-65-7- Standard SMILES
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-]- InChIKey
HNYSXOZEEKWPNM-UHFFFAOYSA-N- Molecular formula
- C17H26N4O3
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.20049069
Names & identifiers
- Preferred name
- 1-(1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-methylpiperazine
- IUPAC
- 1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine
- English name
- 1-(1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-Methylpiperazine
- Molecular formula
- C17H26N4O3
- Molecular weight
- 334.41
Names & synonyms
1-(1-(3-methoxy-4-nitrophenyl)piperidin-4-yl)-4-methylpiperazine1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine1-[1-(3-Methoxy-4-nitrophenyl)-4-piperidinyl]-4-methylpiperazine1-(1-(3-Methoxy-4-nitrophenyl)-4-piperidinyl)-4-methylpiperazineRefChem:419549890-514-9761440-65-7MFCD180725171-[1-(3-Methoxy-4-nitrophenyl)-4-piperidyl]-4-methylpiperazinePiperazine, 1-[1-(3-methoxy-4-nitrophenyl)-4-piperidinyl]-4-methyl-SCHEMBL375616HNYSXOZEEKWPNM-UHFFFAOYSA-N
Show more names
1-[1-(3-Methoxy1-(1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-Methylpipera...1-[1-(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine - [AC80867]1-(1-(3-Methoxy-4-nitrophenyl)piperidin-4-yl)-4-Methylpiperazine ISO 9001：2015 REACH
DTXSID401171541AKOS027339034BS-29510SY275883DB-2904911-[1(3-methoxy-4-nitrophenyl)piperidin-4-yl]-4-methylpiperazine1-[1-(3-methoxy-4-nitro-phenyl)-4-piperidyl]-4-methyl-piperazine1-[1-(3-methoxy-4-nitrophenyl)piperidin-4 yl]-4-methylpiperazine
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 64.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 415
Physicochemical properties
- Boiling point
- 488.9 · 488.9±45.0 °C(Predicted)
- Density
- 1.195 · 1.195±0.06 g/cm3(Predicted)
- pka
- 8.14 · 8.14±0.42(Predicted)
- InChI
- InChI=1S/C17H26N4O3/c1-18-9-11-20(12-10-18)14-5-7-19(8-6-14)15-3-4-16(21(22)23)17(13-15)24-2/h3-4,13-14H,5-12H2,1-2H3
- InChIKey
- HNYSXOZEEKWPNM-UHFFFAOYSA-N
- SMILES
- N1(C2CCN(C3=CC=C([N+]([O-])=O)C(OC)=C3)CC2)CCN(C)CC1
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.
Not Classified
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers79 total
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
Henan Rane Chemical Co., Ltd.+86-18738066252 · [email protected]
凯曦（武汉）生物科技有限公司18086025538
Nanjing Fred Technology Co., Ltd+86-25-84696168 +86-15380713688 · [email protected]
常熟市海天医药原料有限公司13913622609
武汉萘星光电科技有限公司
Related reactions
21 records
Compound notes
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