Ethyl 3-ethoxy-3-iminopropionate hydrochloride
기본 정보
- CAS
2318-25-4- 표준 SMILES
CCOC(=N)CC(=O)OCC.Cl- InChIKey
HYMXUYQKXCHWDC-UHFFFAOYSA-N- 분자식
- C7H14ClNO3
- 평균 분자량
- 195.64 g/mol
- 단동위원소 질량
- 195.06622099
이름 및 식별자
- 우선 이름
- Ethyl 3-ethoxy-3-iminopropionate hydrochloride
- IUPAC
- ethyl 3-ethoxy-3-iminopropanoate;hydrochloride
- 영어명
- Ethyl 3-ethoxy-3-iminopropionate hydrochloride
- 분자식
- C7H13NO3.ClH
- 분자량
- 195.64
이름 및 동의어
2318-25-4ethyl 3-ethoxy-3-iminopropanoate hydrochlorideEthyl 3-ethoxy-3-iminopropionate hydrochlorideEthyl carbethoxyacetimidate hydrochlorideDTXSID9046994Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, hydrochlorideEthyl beta-ethoxy-beta-iminopropionate hydrochlorideA8DE3DHG8UDTXCID7026994Acetic acid, (1-ethoxyformimidoyl)-, ethyl ester, hydrochlorideNSC-104122Ethyl .beta.-ethoxy-.beta.-iminopropionate hydrochloride
이름 더 보기
AURORA KA-6317IMINOESTERCHLOROHYDRATEETHYL-MONO-IMIDO-MALONATE HCLEthyl 3-ethoxy-3-iminopropiona...Ethyl3-ethoxy-3-iminopropionateHCl3-ethoxy-3-iminopropionate hydrochLEthyl 3-ethoxy-3-imino-propanoate HClDIETHYL MALONMONOIMIDATE HYDROCHLORIDE3-ETHOXY-3-IMINOPROPIONIC ACID ETHYL E
3-ethoxy-3-iminopropanoic acid ethyl ester hydrochlorideRefChem:138691ETHYL (ETHOXYCARBONYL)ACETIMIDATE HYDROCHLORIDEETHYL 2-(ETHOXYCARBONYL)ACETIMIDATE HYDROCHLORIDE3-ETHOXY-3-OXO-1-ETHOXYPROPAN-1-IMINE HYDROCHLORIDE2-(ETHOXYCARBONYL)ACETIMIDIC ACID ETHYL ESTER HYDROCHLORIDEBETA-ETHOXY-BETA-IMINOPROPIONIC ACID ETHYL ESTER HYDROCHLORIDE.BETA.-ETHOXY-.BETA.-IMINOPROPIONIC ACID ETHYL ESTER HYDROCHLORIDE
데이터베이스 식별자
- CAS
2318-25-4- PubChem CID
- 75345
- DTXSID
DTXSID9046994- ChEMBL
CHEMBL3188329- EC Number
- 219-028-1
물성
구조 계산 물성
- 극성 표면적
- 59.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 12
- 형식 전하
- 0
- 복잡도
- 145
실험 및 물리화학적 성질
Physical DescriptionWet Solid
물리화학적 성질
- 녹는점
- 111 · 111-113 °C (decomp)
- 저장 조건
- 2 · 2-8°C
- InChI
- InChI=1S/C7H13NO3.ClH/c1-3-10-6(8)5-7(9)11-4-2;/h8H,3-5H2,1-2H3;1H
- InChIKey
- HYMXUYQKXCHWDC-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)CC(OCC)=N.[H]Cl
- EPA
- 3 · Ethyl 3-ethoxy-3-iminopropionate hydrochloride (2318-25-4)
화학적 성질
White crystalline powder
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 43.5% (37 of 85) of reports.
Warning
H315 (55.3%): 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 85 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, hydrochloride (1:1) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, hydrochloride (1:1) 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)
Status: Active Update: 11-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25835
Hazard Classes and CategoriesSkin Irrit. 2 (55.3%)
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- HS 번호
- 29252900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26
- F 고인화성물질
- 10-21
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Industry UsesIntermediate
General Manufacturing Information
Photographic Film, Paper, Plate, and Chemical Manufacturing
Propanoic acid, 3-ethoxy-3-imino-, ethyl ester, hydrochloride (1:1): ACTIVE
상·하류 제품 정보
상류 원료
하류 제품
관련 반응
67건
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