4-아미노-1-부탄올
4-아미노-1-부탄올 · 4-aminobutan-1-ol · 4-AMINOBUTANOL · BUTANOLAMINE · 4-hydroxybutan-1-aminium · SKL271 · N-ABU(4)-OL · H-ABUT(4)-OL
식별자 및 물리적 특성
| CAS No. | 13325-10-5 |
|---|---|
| 분자식 | C4H11NO |
| 평균 분자량 | 89.14 g/mol |
| 단동위원소 질량 | 89.08406397 g/mol |
| SMILES | NCCCCO |
| InChIKey | BLFRQYKZFKYQLO-UHFFFAOYSA-N |
| PubChem CID | 25868 |
| EC No. | 236-364-4 |
| DTXSID | DTXSID70158027 |
| 현지명 | 4-아미노-1-부탄올 |
화학 및 물리적 성질
| XLogP | -1.1 |
|---|---|
| 극성 표면적 | 46.3 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 23.5 |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Optical coefficient |
| 녹는점 | 16-18 °C (lit.) |
| 끓는 점 | 206 °C (lit.) |
| 밀도 | 0.967 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D ~1.462(lit.) |
| 인화점 | 226 °F |
| 저장 조건 | Store below +30°C. |
| 용해도 | 아세토니트릴(약간 용해됨), 클로로포름(소량으로 용해), 메탄올(약간 용해됨) |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 15.10±0.10(Predicted) |
| 색상 | 무색투명~미황색 |
| 용해도 | 혼용 가능 |
| BRN | 1731411 |
| 안정성 | 수용액에서 불안정함 |
| InChI | 1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2 |
| InChIKey | BLFRQYKZFKYQLO-UHFFFAOYSA-N |
| SMILES | NCCCCO |
| NIST | NH2(CH2)4OH(13325-10-5) |
| EPA | 1-Butanol, 4-amino- (13325-10-5) |
화학적 성질
Very light clear yellow liquid
안전 및 규제
| GHS 분류 | DangerH302 (12.7%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 63 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Chemical: 1-Butanol, 4-amino- |
| Hazard Classes and Categories | Acute Tox. 4 (12.7%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 2735 8/PG 3 |
| 관세 코드 | 29221980 |
| 위험 문구(R) | 34-22 |
| 위험 표시 | C |
| 안전 문구(S) | 26-36/37/39-45-25 |
| 포장분류 | III |
| 위험 등급 | 8Eye Dam. 1Skin Corr. 1B |
| F 고인화성물질 | 34 |
| 저장 분류 | 8A - Combustible corrosive hazardous materials |
용도
개요
4-Amino-1-butanol (4AB) is an important pharmaceutical intermediate compound and a precursor of biodegradable polymers for gene delivery. It can be used in organic synthesis and biological properties studies, among others. In addition, 4-Amino-1-butanol (4AB) has been shown to have a higher CO2 solubility than 2-amino-1-ethanol (MEA), which is potentially useful in solving problems related to flue gas purification[1-2].
용도
4-Amino-1-butanol is a useful intermediate in a variety of organic synthesis. It is mainly used in personal-care products, preparation of water soluble cationic flocculants and ion exchange resins as well as in the preparation of beta-lactam antibiotics. It is used for the production of efficient anionic emulsifiers, nonionic polyethylene emulsions, water treatment, metal treatment and absorption of carbon dioxide gas. It is used as a pigment dispersion aid and curing agent in selected textile -resins.