Basic information
- CAS
3783-61-7- Standard SMILES
CCOC(=O)CCNCC(=O)OCC- InChIKey
JHFQLFGNGSHVGQ-UHFFFAOYSA-N- Molecular formula
- C9H17NO4
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.11575802
Names & identifiers
- Preferred name
- Ethyl 3-(ethoxycarbonylmethylamino)propionate
- IUPAC
- ethyl 3-[(2-ethoxy-2-oxoethyl)amino]propanoate
- English name
- N-(2-Ethoxy-2-oxoethyl)-beta-alanine ethyl ester
- Molecular formula
- C9H17NO4
- Molecular weight
- 203.24
Names & synonyms
3783-61-7Ethyl 3-(ethoxycarbonylmethylamino)propionateEthyl 3-((2-ethoxy-2-oxoethyl)amino)propanoateethyl 3-[(2-ethoxy-2-oxoethyl)amino]propanoateMFCD08729298N-(2-ETHOXY-2-OXOETHYL)-BETA-ALANINE ETHYL ESTERethyl 3-[(2-ethoxy-2-oxo-ethyl)amino]propanoateEthyl 3-[(2-Ethoxy-2-oxoethyl)amino]propionateDiethyl 2-azabutane-1,4-dicarboxylateEthyl N-(2-ethoxy-2-oxoethyl)-beta-alaninateNSC133476ethyl N-(2-ethoxycarbonylethyl)glycinate
Show more names
NSC 1334764-(2,5-dibromophenoxy)butanoic acidDiethyl N-(carboxymethyl)-beta-alanineEthyl N-(carboethoxyethyl)-beta-aminopropionateβ-Alanine, N-(2-ethoxy-2-oxoethyl)-, ethyl ester
SCHEMBL8377633-(Ethoxycarbonylmethyl-amino)-propionic Acid Ethyl EsterDTXSID50299881JHFQLFGNGSHVGQ-UHFFFAOYSA-NSBB093131Diethyl2-azabutane-1,4-dicarboxylateAKOS010028107diethyl2-azabutane-1, 4-dicarboxylate
Database identifiers
- CAS
3783-61-7- PubChem CID
- 281012
- DTXSID
DTXSID50299881- Nikkaji
- J1.345.899E
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Physicochemical properties
- Boiling point
- 249 · 249-251℃
- Density
- 1.053 · 1.053±0.06 g/cm3(Predicted)
- refractive index
- 1.436 · 1.436 (589.3 nm 25℃)
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- liquid
- pka
- 6.67 · 6.67±0.20(Predicted)
- color
- Pale yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- HazardClass
- IRRITANT
- HS Code
- 2922498590 · 2922498590
Safety & regulation
Safety data
- hs_code
- 2922498590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers27 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
广州维奥康药业科技有限公司+86-13424074264; 13726739909
上海书亚医药科技有限公司400-685-9117 · [email protected]
成都同创源医药科技有限公司028-83379370 13880556291 · [email protected]
上海万千化工有限公司18796480002 18796480002 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
上海旺珐化工科技有限公司（安徽珐诺伊医药科技有限公司）13918479294 · [email protected]
南京康立瑞生物科技有限公司+86-18626219813 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
广州同信医药技术有限公司13660719760 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Guangzhou Weiaokang Pharmaceutical Technology Co., Ltd+86-13424074264 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
96 records
Compound notes
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