Basic information
- CAS
2318-25-4- Standard SMILES
CCOC(=N)CC(=O)OCC.Cl- InChIKey
HYMXUYQKXCHWDC-UHFFFAOYSA-N- Molecular formula
- C7H14ClNO3
- Average molar mass
- 195.64 g/mol
- Monoisotopic mass
- 195.06622099
Names & identifiers
- Preferred name
- Ethyl 3-ethoxy-3-iminopropionate hydrochloride
- IUPAC
- ethyl 3-ethoxy-3-iminopropanoate;hydrochloride
- English name
- Ethyl 3-ethoxy-3-iminopropionate hydrochloride
- Molecular formula
- C7H13NO3.ClH
- Molecular weight
- 195.64
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
2318-25-4- PubChem CID
- 75345
- DTXSID
DTXSID9046994- ChEMBL
CHEMBL3188329- EC Number
- 219-028-1
Properties
Computed structural properties
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
Physical DescriptionWet Solid
Physicochemical properties
- Melting point
- 111 · 111-113 °C (decomp)
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- 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
- CAS DataBase Reference
- 2318 · 2318-25-4(CAS DataBase Reference)
- FDA UNII
- 8 DE3DHG8U · A8DE3DHG8U
- EPA Substance Registry System
- 3 · Ethyl 3-ethoxy-3-iminopropionate hydrochloride (2318-25-4)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 302 · P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
- TSCA
- TSCA listed
- HS Code
- 29252900 · 29252900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
- REACH Registrations
- Active
Safety & regulation
GHS classification
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.
Hazard information
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%)
Safety data
- F
- 10-21
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29252900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
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
Applications
UsesEthyl 3-ethoxy-3-iminopropionate hydrochloride is an intermediate for dacarbamate and acarmine.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
南京天一化工科技有限公司15150528611 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
苏州新瑞生物科技有限公司13401437572 · [email protected]
重庆科脉材料科技有限公司17830741407 · [email protected]
苏州启航生物科技有限公司18662190603;18151111370 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
武汉杂环科技有限公司027-88041443 13072715837 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
上海贺康生物技术有限公司17721021104 18939837085 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海洽凡生化科技有限公司+86-021-61654350 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海博熠生物医药科技有限公司021-021-54331997 18321536537 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466205 15377579727 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
山东利腾生物科技有限公司15020019777 18663721413 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海天习化工有限公司021-20960837,QQ1332204249 · [email protected]
南京艾比克斯生化科技有限公司025-87193546 18652950785 · [email protected]
浙江泽天精细化工有限公司0571-87682782 18957127338 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
兰州安杰利生物化学科技有限公司0931-8235634 13321316780
上海源叶生物科技有限公司13636370518 · [email protected]
Related reactions
67 records
Compound notes
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