5-에틸-5-메틸이미다졸리딘-2,4-디온
5-Ethyl-5-methylhydantoin
기본 정보
- CAS
5394-36-5- 표준 SMILES
CCC1(C)NC(=O)NC1=O- InChIKey
VSJRBQDMBFFHMC-UHFFFAOYSA-N- 분자식
- C6H10N2O2
- 평균 분자량
- 142.16 g/mol
- 단동위원소 질량
- 142.07422757
개요
a chiral active phramaceutical ingredient
이름 및 식별자
- 우선 이름
- 5-Ethyl-5-methylhydantoin
- IUPAC
- 5-ethyl-5-methylimidazolidine-2,4-dione
- 현지명
- 5-에틸-5-메틸이미다졸리딘-2,4-디온
- 영어명
- 5-Ethyl-5-methylimidazolidine-2,4-dione
- 분자식
- C6H10N2O2
- 분자량
- 142.16
이름 및 동의어
5-Ethyl-5-methylhydantoin5394-36-55-Methyl-5-ethylhydantoinMethylethylhydantoin2,4-Imidazolidinedione, 5-ethyl-5-methyl-DTXSID90413689434G2C47PNSC-1020DTXCID7021368RefChem:102571226-402-85-Ethyl-5-methylimidazolidine-2,4-dione
이름 더 보기
5-에틸-5-메틸이미다졸리딘-2,4-디온5-Methyl-5-ethyl-2,4-imidazolidinedione
16820-12-5Hydantoin, 5-ethyl-5-methyl-NSC 1020MFCD00022402EINECS 226-402-8BRN 0081952UNII-9434G2C47PT11
데이터베이스 식별자
- CAS
5394-36-5- PubChem CID
- 82162
- DTXSID
DTXSID9041368- ChEMBL
CHEMBL3186277- UNII
- 9434G2C47P
- EC Number
- 226-402-8
- Nikkaji
- J49.457G
물성
구조 계산 물성
- XLogP
- 0.2
- 극성 표면적
- 58.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 10
- 형식 전하
- 0
- 복잡도
- 190
실험 및 물리화학적 성질
Physical DescriptionLarge Crystals; Liquid
Collision Cross Section129.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID9041368]
물리화학적 성질
- 녹는점
- 144 · 144-150 ºC
- 밀도
- 1.095 · 1.095±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 8.93 · 8.93±0.10(Predicted)
- InChI
- 1S/C6H10N2O2/c1-3-6(2)4(9)7-5(10)8-6/h3H2,1-2H3,(H2,7,8,9,10)
- InChIKey
- VSJRBQDMBFFHMC-UHFFFAOYSA-N
- SMILES
- CCC1(C)NC(=O)NC1=O
- EPA
- 2 · 2,4-Imidazolidinedione, 5-ethyl-5-methyl- (5394-36-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2,4-Imidazolidinedione, 5-ethyl-5-methyl-
2,4-Imidazolidinedione, 5-ethyl-5-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4-Imidazolidinedione, 5-ethyl-5-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Other Safety InformationEvaluation - Chemicals that are unlikely to require further regulation to manage risks to environment
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MU2070000
- 독성
- LD50 subcutaneous in mouse: 2gm/kg
- HS 번호
- 2933290090
- risk_code
- 22
- hazard_code
- Xn
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
U.S. Production2023: 1,000,000 - <8,500,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesLaboratory chemicals
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2,4-Imidazolidinedione, 5-ethyl-5-methyl-: ACTIVE
응용 분야
용도Reactant for synthesis of nociceptin/orphanin FQ analogues
관련 반응
9건
화합물 노트
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