5-에틸-5-메틸이미다졸리딘-2,4-디온

5-Ethyl-5-methylhydantoin

HCID 82162CAS 5394-36-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CCC1(C)NC(=O)NC1=O
InChIKey
VSJRBQDMBFFHMC-UHFFFAOYSA-N
분자식
C6H10N2O2
평균 분자량
142.16 g/mol
단동위원소 질량
142.07422756

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

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

안전 및 규제

GHS 분류

GHS Classification · 4건

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 · 2건

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
2933299090
risk_code
22

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 · 2건

All Other Basic Organic Chemical Manufacturing

2,4-Imidazolidinedione, 5-ethyl-5-methyl-: ACTIVE

응용 분야

용도Reactant for synthesis of nociceptin/orphanin FQ analogues

공급사40 곳

南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

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