1,3-Benzodioxol-5-Ylmethylamine
1,3-Benzodioxol-5-Ylmethylamine structure
|
Common Name | 1,3-Benzodioxol-5-Ylmethylamine | ||
|---|---|---|---|---|
| CAS Number | 2620-50-0 | Molecular Weight | 151.163 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 267.0±0.0 °C at 760 mmHg | |
| Molecular Formula | C8H9NO2 | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 120.9±26.0 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 1,3-benzodioxol-5-ylmethanamine |
|---|---|
| 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 | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 267.0±0.0 °C at 760 mmHg |
| Molecular Formula | C8H9NO2 |
| Molecular Weight | 151.163 |
| Flash Point | 120.9±26.0 °C |
| Exact Mass | 151.063324 |
| PSA | 44.48000 |
| LogP | 0.95 |
| Vapour Pressure | 0.0±0.5 mmHg at 25°C |
| Index of Refraction | 1.593 |
| InChIKey | ZILSBZLQGRBMOR-UHFFFAOYSA-N |
| SMILES | NCc1ccc2c(c1)OCO2 |
| Water Solubility | 0.9 g/100 mL |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36-S28A-S23 |
| RIDADR | UN2735 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2932999099 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
|---|---|
| DownStream 10 | |
![N-(benzo[d][1,3]dioxol-5-ylmethyl)-2-(trimethylsilyl)ethanesulfonamide Structure](https://image.chemsrc.com/caspic/038/106043-11-2.png)
CAS#:106043-11-2
CAS#:4421-09-4
CAS#:120-57-0![2-((benzo[d][1,3]dioxol-5-ylmethyl)carbamoyl)benzoic acid Structure](https://image.chemsrc.com/caspic/390/432009-40-0.png)
CAS#:432009-40-0
CAS#:2089-36-3
CAS#:7228-38-8
CAS#:2635-13-4
CAS#:302-72-7
CAS#:64-19-7
CAS#:40023-03-8
CAS#:4430-47-1
CAS#:83471-17-4
CAS#:71217-46-4![Acetonitrile,2-[(1,3-benzodioxol-5-ylmethyl)amino] structure](https://image.chemsrc.com/caspic/348/3201-32-9.png)
CAS#:3201-32-9
CAS#:349438-38-6
CAS#:341953-72-8
CAS#:16386-35-9This 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 lists relevant public references with title, journal and publication metadata for this compound.
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Novel capsaicin analogues as potential anticancer agents: synthesis, biological evaluation, and in silico approach.
Arch. Pharm. (Weinheim) 347(12) , 885-95, (2014) A novel class of benzo[d][1,3]dioxol-5-ylmethyl alkyl/aryl amide and ester analogues of capsaicin were designed, synthesized, and evaluated for their cytotoxic activity against human and murine cancer... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Amide Coupling from Article : "Open science discovery of potent noncovalent SARS-CoV-...
Source: BindingDB
Target: N/A
External Id: BindingDB_11549_2
|
|
Name: Chan-Lam from Article : "Open science discovery of potent noncovalent SARS-CoV-2 main...
Source: BindingDB
Target: N/A
External Id: BindingDB_11549_1
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 220-056-1 |
| 5-(Aminomethyl)-1,3-benzodioxole |
| (1,3-Benzodioxol-5-yl)methylamine |
| 3,4-Methylenedioxybenzylamine |
| 1,3-Benzodioxol-5-Ylmethylamine |
| Benzo[d][1,3]dioxol-5-ylmethanamine |
| 5-Aminomethyl-1,3-benzodioxole |
| Piperonylamine |
| 1,3-Benzodioxole-5-methylamine |
| 2H-1,3-benzodioxol-5-ylmethylamine |
| MFCD00005840 |
| 1-(1,3-Benzodioxol-5-yl)methanamine |
| 1,3-Benzodioxole-5-methanamine |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the boiling point of 1,3-benzodioxol-5-ylmethanamine? |
| A: Boiling point of 1,3-benzodioxol-5-ylmethanamine is 267.0±0.0 °C at 760 mmHg. |
| Q: What is the English name of 1,3-benzodioxol-5-ylmethanamine? |
| A: The English name of 1,3-benzodioxol-5-ylmethanamine is 1,3-benzodioxol-5-ylmethanamine. |
| Q: What is the polar surface area (PSA) of 1,3-benzodioxol-5-ylmethanamine? |
| A: Polar surface area (PSA) of 1,3-benzodioxol-5-ylmethanamine is 44.48000. |
| Q: What is the InChIKey of 1,3-benzodioxol-5-ylmethanamine? |
| A: InChIKey of 1,3-benzodioxol-5-ylmethanamine is ZILSBZLQGRBMOR-UHFFFAOYSA-N. |
| Q: What is the LogP of 1,3-benzodioxol-5-ylmethanamine? |
| A: LogP of 1,3-benzodioxol-5-ylmethanamine is 0.95. |
| Q: What is the SMILES notation of 1,3-benzodioxol-5-ylmethanamine? |
| A: SMILES notation of 1,3-benzodioxol-5-ylmethanamine is NCc1ccc2c(c1)OCO2. |
| Q: What is the CAS number of 1,3-benzodioxol-5-ylmethanamine? |
| A: CAS number of 1,3-benzodioxol-5-ylmethanamine is 2620-50-0. |
| Q: What is the molecular formula of 1,3-benzodioxol-5-ylmethanamine? |
| A: Molecular formula of 1,3-benzodioxol-5-ylmethanamine is C8H9NO2. |
| Q: What are the downstream products of 1,3-benzodioxol-5-ylmethanamine? |
| A: Related downstream products(CAS) of 1,3-benzodioxol-5-ylmethanamine: 40023-03-8;4430-47-1;120-57-0;83471-17-4;4421-09-4;71217-46-4;3201-32-9;349438-38-6;341953-72-8;16386-35-9. |
| Q: How is the water solubility of 1,3-benzodioxol-5-ylmethanamine? |
| A: Water solubility of 1,3-benzodioxol-5-ylmethanamine: 0.9 g/100 mL. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |