Basic information
- Standard SMILES
C=C(NC(C)=O)C(=O)O- InChIKey
UFDFFEMHDKXMBG-UHFFFAOYSA-N- Molecular formula
- C5H7NO3
- Average molar mass
- 129.11 g/mol
- Monoisotopic mass
- 129.04259308
Names & identifiers
- Preferred name
- 2-Acetamidoacrylic acid
- IUPAC
- 2-acetamidoprop-2-enoic acid
- English name
- 2-Acetamidoacrylic acid
- Molecular formula
- C5H7NO3
- Molecular weight
- 129.11
Names & synonyms
2-Acetamidoacrylic acid5429-56-1EINECS 226-583-3DTXSID40202647NSC 14171RefChem:462771DTXCID70125138226-583-32-acetamidoprop-2-enoic acid2-Propenoic acid, 2-(acetylamino)-Acrylic acid, 2-acetamido-2-(Acetylamino)acrylic acid
Show more names
Ac-DL-Dha-OH2-AcetamidoacryLAC-DEHYDRO-ALA-OH2-AcetamidoacrylsureACETYL-DEHYDROALANINE2-Acetamidoacrylicaci2-Acetamidocrylic acid2-ACETAMINOACRYLIC ACID
N-AcetyldehydroalanineMFCD00004257Acetyldehydroalanine.alpha.-Acetamidoacrylic acidNSC-141712-AcetamidoacrylicacidAcetyl-dehydro-Alanine2-(acetylamino)prop-2-enoic acid
Database identifiers
- CAS
5429-56-1- PubChem CID
- 79482
- DTXSID
DTXSID40202647- UNII
- 8AQA627GQ3
- EC Number
- 226-583-3
- Nikkaji
- J125.810I
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 185 · 185-186 °C (dec.) (lit.)
- Boiling point
- 239.15 °C · 239.15°C (rough estimate)
- Density
- 1.3816 · 1.3816 (rough estimate)
- refractive index
- 1.422 · 1.4220 (estimate)
- storage temp.
- 2 · Inert atmosphere,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 3.53 · 3.53±0.11(Predicted)
- color
- Off-White to Pale Grey
- Water Solubility
- hardly soluble
- BRN
- 1812032 · 1812032
- InChI
- InChI=1S/C5H7NO3/c1-3(5(8)9)6-4(2)7/h1H2,2H3,(H,6,7)(H,8,9)
- InChIKey
- UFDFFEMHDKXMBG-UHFFFAOYSA-N
- SMILES
- C(O)(=O)C(NC(C)=O)=C
- CAS DataBase Reference
- 5429 · 5429-56-1(CAS DataBase Reference)
- FDA UNII
- 8 AQA627GQ3 · 8AQA627GQ3
- NIST Chemistry Reference
- 2 · 2-Propenoic acid, 2-(acetylamino)-(5429-56-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-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 · 26-36-37/39
- WGK Germany
- 3 · 3
- HS Code
- 29241900 · 29241900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29241900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesAn antioxidant.
Uses2-Acetamidoacrylic acid is used as an antioxidant as well as a monomer.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
广州蓝宁生物科技有限公司15813355568 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
Syntechem Co.,Ltd[email protected]
NINGBOBENKANGJS PHARMTECHCO., LTD+8615990591583 15990591583
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
宁波苯康基石医药科技有限公司15990591583
山东西亚化学有限公司13355009207 13355009207 · [email protected]
广州凯途化学有限公司18802095185 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海金赛生物科技有限公司189-1821-4718 18918214718
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
天成化工(江苏)有限公司0512-66387919 18662433356 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海卓因生物科技有限公司021-61317773 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
池州凯隆进出口贸易有限公司[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]
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
11 records
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