Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
네오펜틸아민
네오펜틸아민 · 2,2-DIMETHYLPROPYLAMINE · 2,2-Dimethyl-1-propanamine · neo-C5H11NH2 · PIVALYLAMINE · NEOPENTYLAMINE · Neopentylamine>NEOPENTYLAMINE HCL · RARECHEM AL BW 0181
식별자 및 물리적 특성
| CAS No. | 5813-64-9 |
|---|---|
| 분자식 | C5H13N |
| 평균 분자량 | 87.16 g/mol |
| 단동위원소 질량 | 87.10479942 g/mol |
| SMILES | CC(C)(C)CN |
| InChIKey | XDIAMRVROCPPBK-UHFFFAOYSA-N |
| PubChem CID | 79882 |
| EC No. | 227-378-1 |
| DTXSID | DTXSID4022232 |
| 현지명 | 네오펜틸아민 |
화학 및 물리적 성질
| XLogP | 1 |
|---|---|
| 극성 표면적 | 26 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 33 |
| 녹는점 | -70°C (estimate) |
| 끓는 점 | 83°C |
| 밀도 | 0.745 |
| 굴절률 | 1.403 |
| 인화점 | -13°C |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| pKa(산도 계수) | 10.15(at 25℃) |
| 물리적 상태 | 투명한 액체 |
| 색상 | 무색 내지 거의 무색 |
| InChI | InChI=1S/C5H13N/c1-5(2,3)4-6/h4,6H2,1-3H3 |
| InChIKey | XDIAMRVROCPPBK-UHFFFAOYSA-N |
| SMILES | C(N)C(C)(C)C |
| NIST | Neopentylamine(5813-64-9) |
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 2.2% (1 of 46) of reports.DangerH225 (97.8%): Highly Flammable liquid and vapor [Danger Flammable liquids]H302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P210, P233, P240, P241, P242, P243, P260, P264, P270, 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 46 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 46 reports by companies.There are 6 notifications provided by 45 of 46 reports by companies with hazard statement code(s).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 (97.8%)Acute Tox. 4 (91.3%)Skin Corr. 1B (97.8%) |
| 수질 위해 등급(WGK) | WGK 3 |
| 운송 번호(UN) | 1106 |
| 관세 코드 | 29211990 |
| 위험 문구(R) | 11-20/22-35-22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 3-16-23-26-36/37/39 |
| 포장분류 | II |
| 위험 등급 | 3/8Acute Tox. 4 OralEye Dam. 1Flam. Liq. 2Skin Corr. 1B |
| 기존화학 물질 | KE-05-0910 |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
Neopentylamine is an organic amine compound that can be used in alkylation and alkenylation reactions. It is also used in the study of reactions of low-energy isobutylamine and neopentylamine molecular ions, where the main reaction that can transfer the neopentylamine ion is the loss of the C4H7 radical.