HuagongsheHuagongshe Chemistry Print Report · For research reference only
(2S)-3,3-dimethylbutan-2-amine
(S)-3,3-Dimethylbutan-2-amine · (S)-3,3-DIMETHYL-2-BUTYLAMINE · (2S)-3,3-dimethylbutan-2-amine · (S)-3,3-DIMETHYL-2-AMINOBUTANE · (S)-(+)-3,3-DIMETHYL-2-BUTYLAMINE · 2-Butanamine, 3,3-dimethyl-, (2S)- · (S)-(-)-3,3-DIMETHYL 2-AMINOBUTANE · (S)-(+)-3,3-DiMethyl-2-butylaMine 97%
Identifiers & Physical Properties
| CAS No. | 22526-47-2 |
|---|---|
| Molecular formula | C6H15N |
| Average molar mass | 101.19 g/mol |
| Monoisotopic mass | 101.12044948 g/mol |
| SMILES | C[C@H](N)C(C)(C)C |
| InChIKey | DXSUORGKJZADET-YFKPBYRVSA-N |
| PubChem CID | 7004913 |
| EC No. | 627-009-8 |
| DTXSID | DTXSID10426479 |
Chemical & Physical Properties
| XLogP | 1.4 |
|---|---|
| Topological polar surface area | 26 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 7 |
| Formal charge | 0 |
| Complexity | 51 |
| Melting point | -4°C |
| Boiling point | 103°C |
| Density | 0.743 g/mL at 25 °C |
| Refractive index | 1.4126 |
| Flash point | 2°C |
| Storage conditions | 2-8°C |
| Solubility | Chloroform (Slightly), DMSO (Slightly), Methanol |
| Physical state | Oil |
| pKa (acidity coefficient) | 10.86±0.13(Predicted) |
| Color | Clear Colourless |
| Sensitivity | Air Sensitive |
| BRN | 4652328 |
| InChI | 1S/C6H15N/c1-5(7)6(2,3)4/h5H,7H2,1-4H3/t5-/m0/s1 |
| InChIKey | DXSUORGKJZADET-YFKPBYRVSA-N |
| SMILES | C[C@H](N)C(C)(C)C |
| CAS DataBase Reference | 22526-47-2(CAS DataBase Reference) |
| UNSPSC Code | 12352116 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H225-H302-H314-H412 |
| GHS precautionary statements | P210-P273-P280-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310 |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Hazard symbols | F,C |
| Risk statements (R) | 11-34-22-52/53 |
| Safety statements (S) | 26-36/37/39-45-16-61 |
| UN transport number | 2734 |
| Water hazard class (WGK) | 2 |
| Hazard class | 3Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Skin Corr. 1B |
| Packing group | II |
| Storage class | 3 - Flammable liquids |
Safety & Regulations
| GHS classification | DangerH225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]H302 (90.9%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H412 (90.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P240, P241, P242, P243, P260, P264, P270, P273, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 2 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 | Flam. Liq. 2 (100%)Acute Tox. 4 (90.9%)Skin Corr. 1B (100%)Aquatic Chronic 3 (90.9%) |
| Personal protective equipment (PPE) | Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 2 |
| UN transport number | 2734 |
| Risk statements (R) | 11-34-22-52/53 |
| Signal word | Danger |
| GHS pictogram | GHS02,GHS05,GHS07 |
| Hazard symbols | F,C |
| Safety statements (S) | 26-36/37/39-45-16-61 |
| Hazard class | 3Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Skin Corr. 1B |
| Storage class |
Applications & Uses
Uses
(S)-(+)-3,3-Dimethyl-2-butylamine may be used in the preparation of:methyl 3′-{[(2S-3,3-dimethylbutan-2-yl]carbamoyl]-2,2′-binaphthalene-3-carboxylateN,N-(S)-bis(diphenylphosphanyl)-3,3-dimethyl-2-butylamine