Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
(S)-(+)-3,3-디메틸-2-부틸아민
(S)-(+)-3,3-디메틸-2-부틸아민 · (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
식별자 및 물리적 특성
| CAS No. | 22526-47-2 |
|---|---|
| 분자식 | C6H15N |
| 평균 분자량 | 101.19 g/mol |
| 단동위원소 질량 | 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 |
| 현지명 | (S)-(+)-3,3-디메틸-2-부틸아민 |
화학 및 물리적 성질
| XLogP | 1.4 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 51 |
| 녹는점 | -4°C |
| 끓는 점 | 103°C |
| 밀도 | 0.743 g/mL at 25 °C |
| 굴절률 | 1.4126 |
| 인화점 | 2°C |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올 |
| 물리적 상태 | 기름 |
| pKa(산도 계수) | 10.86±0.13(Predicted) |
| 색상 | 투명 무색 |
| 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 |
안전 및 규제
| GHS 분류 | 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%) |
| 수질 위해 등급(WGK) | 2 |
| 운송 번호(UN) | 2734 |
| 위험 문구(R) | 11-34-22-52/53 |
| 위험 표시 | F,C |
| 안전 문구(S) | 26-36/37/39-45-16-61 |
| 포장분류 | II |
| 위험 등급 | 3Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1Flam. Liq. 2Skin Corr. 1B |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
(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