HuagongsheHuagongshe Chemistry Print Report · For research reference only
Veratrylamine
(3,4-Dimethoxyphenyl)methanamine · 3,4-DIMETHOXYBENZYLAMINE · VTA · TOBO-005 · AKOS 237-129 · VERATRYLAMINE · AKOS BBS-00006456 · RARECHEM AL BW 0161
Identifiers & Physical Properties
| CAS No. | 5763-61-1 |
|---|---|
| Molecular formula | C9H13NO2 |
| Average molar mass | 167.2 g/mol |
| Monoisotopic mass | 167.09462866 g/mol |
| SMILES | COc1ccc(CN)cc1OC |
| InChIKey | DIVNUTGTTIRPQA-UHFFFAOYSA-N |
| PubChem CID | 79832 |
| EC No. | 227-287-7 |
| DTXSID | DTXSID50206292 |
Chemical & Physical Properties
| XLogP | 0.4 |
|---|---|
| Topological polar surface area | 44.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 130 |
| Melting point | 262-263 °C(Solv: N,N-dimethylformamide (68-12-2)) |
| Boiling point | 281-284 °C (lit.) |
| Density | 1.109 g/mL at 25 °C (lit.) |
| Refractive index | n20/D 1.556(lit.) |
| Flash point | >230 °F |
| Storage conditions | Keep in dark place,Inert atmosphere,2-8°C |
| Solubility | Chloroform, Methanol |
| pKa (acidity coefficient) | 9.28±0.10(Predicted) |
| Physical state | Liquid |
| Specific gravity | 1.109 |
| Color | Clear light yellow |
| Sensitivity | Air Sensitive |
| BRN | 511575 |
| InChI | 1S/C9H13NO2/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5H,6,10H2,1-2H3 |
| InChIKey | DIVNUTGTTIRPQA-UHFFFAOYSA-N |
| SMILES | COc1ccc(CN)cc1OC |
| CAS DataBase Reference | 5763-61-1(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | KQA442BL6W |
| NIST Chemistry Reference | Veratrylamine(5763-61-1) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS05 |
| Signal word | Danger |
| GHS hazard statements | H314-H318 |
| GHS precautionary statements | P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi,C |
| Risk statements (R) | 37-34 |
| Safety statements (S) | 26-36/37/39-45 |
| UN transport number | 2735 |
| Water hazard class (WGK) | 3 |
| RTECS number | YX7355000 |
| Hazard Note | Irritant |
| Hazard class | 8 |
| Packing group | III |
| Customs code | 29222990 |
| Storage class | 10 - Combustible liquids |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | DangerH302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]H312 (12.5%): Harmful in contact with skin [Warning Acute toxicity, dermal]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H318 (12.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]H332 (12.5%): Harmful if inhaled [Warning Acute toxicity, inhalation]P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (12.5%)Skin Corr. 1B (100%)Eye Dam. 1 (12.5%) |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| RTECS number | YX7355000 |
| UN transport number | 2735 |
| Customs code | 29222990 |
| Risk statements (R) | 37-34 |
| Signal word | Danger |
| GHS pictogram | GHS05 |
| Hazard symbols | Xi,C |
| hazard_note | Irritant |
| Safety statements (S) | 26-36/37/39-45 |
| Hazard class | 8 |
| Storage class | 10 - Combustible liquids |
| Packing group | III |
| GHS hazard statements | H314-H318 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P405-P501-P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P501a |
Applications & Uses
Uses
3,4-Dimethoxybenzylamine (cas# 5763-61-1) is a compound useful in organic synthesis.