Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
D-Tryptophan
D-TRYPTOPHAN · D-TRP · H-D-TRP-OH · LTR · D-Trp-OH · WV · D-Triptophan · D(+)-TRYPTOPHAN
식별자 및 물리적 특성
| CAS No. | 153-94-6 |
|---|---|
| 분자식 | C11H12N2O2 |
| 평균 분자량 | 204.22 g/mol |
| 단동위원소 질량 | 204.08987762 g/mol |
| SMILES | N[C@H](Cc1c[nH]c2ccccc12)C(=O)O |
| InChIKey | QIVBCDIJIAJPQS-SECBINFHSA-N |
| PubChem CID | 9060 |
| ChEMBL | CHEMBL292303 |
| ChEBI | CHEBI:16296 |
| EC No. | 205-819-9 |
| DTXSID | DTXSID0046989 |
화학 및 물리적 성질
| XLogP | -1.1 |
|---|---|
| 극성 표면적 | 79.1 |
| 수소 결합 공여자 수 | 3 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 245 |
| 물질 분류 | Biological Agents -> Amino Acids and Derivatives |
| 의약품 | Pharmaceuticals -> Listed in ZINC15 |
| 용해도 | 1 to 5 mg/mL at 75 °F (NTP, 1992)수성 염기(약간 용해됨), DMSO(약간 용해됨, 가열, 초음파 처리), 메탄올(약간 용해됨) |
| 녹는점 | 527 to 540 °F (NTP, 1992)282-85 dec °C282 - 85 °C282-285 °C (dec.)(lit.) |
| Physical Description | D(+)-tryptophan is a white solid. (NTP, 1992)[CAMEO] White powder[Alfa Aesar MSDS] |
| Collision Cross Section | 151.5 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID0046989]142.6 Ų [M-H]- |
| 끓는 점 | 342.72°C (rough estimate) |
| 밀도 | 1.1754 (rough estimate) |
| 굴절률 | 31 ° (C=1, H2O) |
| 저장 조건 | Keep in dark place,Inert atmosphere,Room temperature |
| pKa(산도 계수) | 2.30±0.10(Predicted) |
| 물리적 상태 | 가루 |
| 색상 | 흰색에서 약간 노란색 |
| 생물학적 소스 | synthetic (organic) |
| 용해도 | 11 g/L (20 ºC) |
| BRN | 86198 |
| 안정성 | 안정적인. 산화제와 호환되지 않습니다. |
| InChI | 1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1 |
| InChIKey | QIVBCDIJIAJPQS-SECBINFHSA-N |
| SMILES | N[C@H](Cc1c[nH]c2ccccc12)C(O)=O |
| LogP(분배 계수) | 0.704 (est) |
| EPA | D-Tryptophan (153-94-6) |
화학적 성질
white powder
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 87.5% (7 of 8) of all reports.WarningH315 (12.5%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 8 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | D-Tryptophan: Does not have an individual approval but may be used under an appropriate group standard |
| 화재 위험 | Flash point data are not available for this chemical, but it is probably combustible. (NTP, 1992) |
| 유해성 요약 | Causes altered sleep time (including change in righting reflex), dyspnea, and decreased body temperature in intraperitoneal lethal-dose studies of rats (LD50 = 4,289 mg/kg)[RTECS] May cause irritation[Alfa Aesar MSDS] |
| 반응성 그룹 | Salts, Acidic |
| Reactivity Profile | Acidic salts, such as D(+)-TRYPTOPHAN, are generally soluble in water. The resulting solutions contain moderate concentrations of hydrogen ions and have pH's of less than 7.0. They react as acids to neutralize bases. These neutralizations generate heat, but less or far less than is generated by neutralization of inorganic acids, inorganic oxoacids, and carboxylic acid. They usually do not react as either oxidizing agents or reducing agents but such behavior is not impossible. Many of these compounds catalyze organic reactions. |
| Air and Water Reactions | Slightly soluble in water. |
| Hazard Classes and Categories | Skin Irrit. 2 (12.5%) |
| 소화 | Fires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992) |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | SMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Personal Protective Equipment (PPE) | RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | YN6129000 |
| 관세 코드 | 29339990 |
| 위험 문구(R) | 36/37/38-41-37/38-22 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25-36/37/39-36-26 |
| 위험 등급 | IRRITANT |
| F 고인화성물질 | 8 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
An essential amino acid found in naturally produced pedtides. Unlike its stereoisomer, L-tryptophan, it is not used in structural or enzyme proteins.
일반 설명
White solid.