Benzenamine,3-(2-methyl-1,3-dioxolan-2-yl)
Benzenamine,3-(2-methyl-1,3-dioxolan-2-yl) structure
|
Common Name | Benzenamine,3-(2-methyl-1,3-dioxolan-2-yl) | ||
|---|---|---|---|---|
| CAS Number | 51226-14-3 | Molecular Weight | 179.21600 | |
| Density | 1.151g/cm3 | Boiling Point | 319.5ºC at 760 mmHg | |
| Molecular Formula | C10H13NO2 | Melting Point | 72-74ºC | |
| MSDS | N/A | Flash Point | 160.7ºC | |
Summary: 3-(2-Methyl-1,3-dioxolan-2-yl)aniline (Chinese name: 3-(2-甲基-1,3-二氧烷-2-基)苯胺), CAS: 51226-14-3, has a molecular formula of C10H13NO2 and a molecular weight of 179.21600. Its melting point is 72-74ºC, boiling point is 319.5ºC, and density is 1.151g/cm3. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(2-Methyl-1,3-dioxolan-2-yl)aniline |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.151g/cm3 |
|---|---|
| Boiling Point | 319.5ºC at 760 mmHg |
| Melting Point | 72-74ºC |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.21600 |
| Flash Point | 160.7ºC |
| Exact Mass | 179.09500 |
| PSA | 44.48000 |
| LogP | 2.06950 |
| Index of Refraction | 1.559 |
| InChIKey | ZXMQVZUQYHIOKO-UHFFFAOYSA-N |
| SMILES | CC1(c2cccc(N)c2)OCCO1 |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
|---|---|
| HS Code | 2932999099 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 7 | |
|---|---|
| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2932999099 |
|---|---|
| Summary | 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
|
Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
|
|
Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
|
|
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1100
|
|
Name: qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
Source: NCGC
Target: TDP1 protein [Homo sapiens]
External Id: TDP1101
|
|
Name: Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
Source: Broad Institute
Target: N/A
External Id: 2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
|
|
Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
|
|
Name: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
|
|
Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_Inhibitor_SinglePoint_HTS_Activity
|
|
Name: qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
Source: NCGC
Target: apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id: AMA1100
|
|
Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: abhydrolase domain-containing protein 4 isoform 1 [Mus musculus]
External Id: ABHD4_INH_FP_1536_1X%INH PRUN
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| methyldioxolanylaniline |
| 3-(2-methyl-[1,3]dioxolan-2-yl)phenylamine |
| 3-(2-Methyl-1,3-dioxolane-2-yl)aniline |
| 2-(3-amino)phenyl-2-methyl-1,3-dioxolane |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline? |
| A: SMILES notation of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline is CC1(c2cccc(N)c2)OCCO1. |
| Q: What English synonyms does 3-(2-Methyl-1,3-dioxolan-2-yl)aniline have? |
| A: English synonyms of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline: methyldioxolanylaniline, 3-(2-methyl-[1,3]dioxolan-2-yl)phenylamine, 3-(2-Methyl-1,3-dioxolane-2-yl)aniline, 2-(3-amino)phenyl-2-methyl-1,3-dioxolane. |
| Q: What is the LogP of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline? |
| A: LogP of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline is 2.06950. |
| Q: What are the upstream materials of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline? |
| A: Related upstream materials(CAS) of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline: 51226-13-2;1111249-40-1;134812-02-5;99-03-6;104-15-4;121-89-1;56915-87-8. |
| Q: What is the molecular weight of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline? |
| A: Molecular weight of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline is 179.21600. |
| Q: What is the English name of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline? |
| A: The English name of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline is 3-(2-Methyl-1,3-dioxolan-2-yl)aniline. |
| Q: What is the InChIKey of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline? |
| A: InChIKey of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline is ZXMQVZUQYHIOKO-UHFFFAOYSA-N. |
| Q: What is the polar surface area (PSA) of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline? |
| A: Polar surface area (PSA) of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline is 44.48000. |
| Q: What is the boiling point of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline? |
| A: Boiling point of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline is 319.5ºC at 760 mmHg. |
| Q: What is the molecular formula of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline? |
| A: Molecular formula of 3-(2-Methyl-1,3-dioxolan-2-yl)aniline is C10H13NO2. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |