3-Methylbenzylamine
3-Methylbenzylamine structure
|
Common Name | 3-Methylbenzylamine | ||
|---|---|---|---|---|
| CAS Number | 100-81-2 | Molecular Weight | 121.180 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 200.2±9.0 °C at 760 mmHg | |
| Molecular Formula | C8H11N | Melting Point | N/A | |
| MSDS | Chinese USA | Flash Point | 80.6±0.0 °C | |
| Symbol |
GHS05 |
Signal Word | Danger | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Methylbenzylamine |
|---|---|
| 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 | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 200.2±9.0 °C at 760 mmHg |
| Molecular Formula | C8H11N |
| Molecular Weight | 121.180 |
| Flash Point | 80.6±0.0 °C |
| Exact Mass | 121.089149 |
| PSA | 26.02000 |
| LogP | 1.55 |
| Vapour Pressure | 0.3±0.4 mmHg at 25°C |
| Index of Refraction | 1.542 |
| InChIKey | RGXUCUWVGKLACF-UHFFFAOYSA-N |
| SMILES | Cc1cccc(CN)c1 |
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 |
GHS05 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H314 |
| Precautionary Statements | P280-P305 + P351 + P338-P310 |
| Personal Protective Equipment | Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
| Hazard Codes | C:Corrosive; |
| Risk Phrases | R34 |
| Safety Phrases | S26-S27-S36/37/39-S45 |
| RIDADR | UN 2735 8/PG 3 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 8 |
| HS Code | 2921499090 |
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 10 | |
|---|---|
| DownStream 10 | |
CAS#:620-22-4
CAS#:626-17-5
CAS#:618-47-3
CAS#:17972-15-5
CAS#:620-23-5
CAS#:52707-50-3
CAS#:1074-82-4
CAS#:620-13-3
CAS#:57-13-6
CAS#:108-24-7![N,N-dimethyl-9-[(3-methylphenyl)methyl]purin-6-amine structure](https://image.chemsrc.com/caspic/396/112089-17-5.png)
CAS#:112089-17-5
CAS#:3696-66-0
CAS#:61924-25-2
CAS#:587-03-1
CAS#:36458-12-5
CAS#:554-68-7
CAS#:6528-83-2
CAS#:6935-65-5This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2921499090 |
|---|---|
| Summary | 2921499090 other aromatic monoamines and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Effect of the eluent pH and acidic modifiers in high-performance liquid chromatography retention of basic analytes.
J. Chromatogr. A. 913(1-2) , 173-87, (2001) The retention of ionogenic bases in liquid chromatography is strongly dependent upon the pH of the mobile phase. Chromatographic behavior of a series of substituted aniline and pyridine basic compound... |
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Characterisation of four new two-dimensional lithium beryllofluoro-layered compounds.
Chemistry 9(20) , 4936-42, (2003) Four new amine-templated materials, containing two-dimensional lithium beryllofluoride sheets of the stoichiometry [LiBeF(4)](-), have been synthesised under hydrothermal and ambient pressure conditio... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Molar pI50 value for phenylethanolamine N-methyl-transferase (PNMT) inhibition
Source: ChEMBL
Target: Phenylethanolamine N-methyltransferase
External Id: CHEMBL759748
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Name: Acid dissociation constant of phenylethanolamine N-methyl-transferase (PNMT) inhibiti...
Source: ChEMBL
Target: Phenylethanolamine N-methyltransferase
External Id: CHEMBL759749
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Name: Inhibition of phenylethanolamine N-methyltransferase(PNMT)activity
Source: ChEMBL
Target: Phenylethanolamine N-methyltransferase
External Id: CHEMBL821668
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 1-(3-Methylphenyl)methanamine |
| MFCD00008118 |
| (3-methylphenyl)methanamine |
| α-Amino-m-xylene |
| 3-Methylbenzylamine |
| m-Tolylmethanamine |
| EINECS 202-890-8 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the downstream products of 3-Methylbenzylamine? |
| A: Related downstream products(CAS) of 3-Methylbenzylamine: 112089-17-5;3696-66-0;61924-25-2;587-03-1;620-23-5;620-22-4;36458-12-5;554-68-7;6528-83-2;6935-65-5. |
| Q: What is the CAS number of 3-Methylbenzylamine? |
| A: CAS number of 3-Methylbenzylamine is 100-81-2. |
| Q: What is the molecular formula of 3-Methylbenzylamine? |
| A: Molecular formula of 3-Methylbenzylamine is C8H11N. |
| Q: What is the boiling point of 3-Methylbenzylamine? |
| A: Boiling point of 3-Methylbenzylamine is 200.2±9.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 3-Methylbenzylamine? |
| A: InChIKey of 3-Methylbenzylamine is RGXUCUWVGKLACF-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 3-Methylbenzylamine? |
| A: Molecular weight of 3-Methylbenzylamine is 121.180. |
| Q: What is the LogP of 3-Methylbenzylamine? |
| A: LogP of 3-Methylbenzylamine is 1.55. |
| Q: What is the safety information for 3-Methylbenzylamine? |
| A: Safety information for 3-Methylbenzylamine: S26-S27-S36/37/39-S45. |
| Q: What is the SMILES notation of 3-Methylbenzylamine? |
| A: SMILES notation of 3-Methylbenzylamine is Cc1cccc(CN)c1. |
| Q: What are the upstream materials of 3-Methylbenzylamine? |
| A: Related upstream materials(CAS) of 3-Methylbenzylamine: 620-22-4;626-17-5;618-47-3;17972-15-5;620-23-5;52707-50-3;1074-82-4;620-13-3;57-13-6;108-24-7. |
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. |