Basic information
- CAS
23491-48-7- Standard SMILES
CN1CCN(c2ccc([N+](=O)[O-])c(N)c2)CC1- InChIKey
MWLBMGPQZJDFKZ-UHFFFAOYSA-N- Molecular formula
- C11H16N4O2
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.12732575
Names & identifiers
- Preferred name
- 5-(4-Methylpiperazin-1-yl)-2-nitroaniline
- IUPAC
- 5-(4-methylpiperazin-1-yl)-2-nitroaniline
- English name
- 5-(4-Methylpiperazin-1-yl)-2-nitroaniline
- Molecular formula
- C11H16N4O2
- Molecular weight
- 236.27
Names & synonyms
23491-48-75-(4-methylpiperazin-1-yl)-2-nitroanilineDTXSID20374997RefChem:101711DTXCID70326027673-328-05-(4-Methylpiperazin-1-yl)-2-nitrophenylamine5-(4-methylpiperazino)-2-nitroaniline5-(4-Methyl-piperazin-1-yl)-2-nitro-phenylamineMFCD00545964CHEMBL13708635-(4-methylpiperazin-1-yl)-2-nitrobenzenamine
Show more names
SIRT6-IN-6BUTTPARK 17\04-695-(4-Methylpiperazino)-2-Nitro5-(4-methylpiperazine) -2-nitroaniline5-(4-Methylpiperazin-1-yl)-2-nitroaniline-71-(3-Amino-4-nitrophenyl)-4-methylpiperazine
5-(4-Methyl-piperazin-1-yl)-2-nitroaniline5-(4-methylpiperazinyl)-2-nitrophenylamine5-(4-Methyl-1-piperazinyl)-2-nitroaniline5-(4-methylpiperazin-1-yl)-2-nitro-aniline1-{3-amino-4-nitrophenyl}-4-methylpiperazineOprea1_384504SCHEMBL77148benzenamine, 5-(4-methyl-1-piperazinyl)-2-nitro-
Database identifiers
- CAS
23491-48-7- PubChem CID
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 273
Physicochemical properties
- Melting point
- 152 · 152-155°C
- Boiling point
- 444.2 · 444.2±45.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 7.35 · 7.35±0.42(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C11H16N4O2/c1-13-4-6-14(7-5-13)9-2-3-11(15(16)17)10(12)8-9/h2-3,8H,4-7,12H2,1H3
- InChIKey
- MWLBMGPQZJDFKZ-UHFFFAOYSA-N
- SMILES
- C1(N)=CC(N2CCN(C)CC2)=CC=C1[N+]([O-])=O
- CAS DataBase Reference
- 23491 · 23491-48-7(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 301 · P301+P312-P302+P352-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.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 29335990
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24/25
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Description5-(4-Methylpiperazin-1-yl)-2-nitroaniline (MPNA) is a nitrogen-containing compound that is widely used in scientific research and laboratory experiments. It is a derivative of piperazine, which is a cyclic compound consisting of two piperazine rings joined by a single nitrogen atom. MPNA is a colorless, odorless solid that is soluble in water and organic solvents, making it an ideal compound for a variety of applications.
Uses5-(4-Methylpiperazin-1-yl)-2-nitroaniline and its derivatives are used as inhibitors of SIRT6 for the treatment of diabetes.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
南京优氟医药科技有限公司025-86755008 17751752005 · [email protected]
上海达立康医药科技有限公司18658316824
宁波振岳医药科技有限公司19817745290 · [email protected]
Related reactions
37 records
Compound notes
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