Basic information
- Standard SMILES
CCOC(=O)/C=C/N(C)C- InChIKey
MVUMJYQUKKUOHO-AATRIKPKSA-N- Molecular formula
- C7H13NO2
- Average molar mass
- 143.18 g/mol
- Monoisotopic mass
- 143.09462866
Names & identifiers
- Preferred name
- Ethyl trans-3-dimethylaminoacrylate
- IUPAC
- ethyl (E)-3-(dimethylamino)prop-2-enoate
- English name
- Ethyl 3-(N,N-dimethylamino)acrylate
- Molecular formula
- C7H13NO2
- Molecular weight
- 143.18
Names & synonyms
1117-37-9Ethyl 3-(Dimethylamino)acrylateEthyl trans-3-dimethylaminoacrylateDTXSID101009957Ethyl (2E)-3-(dimethylamino)-2-propenoateRefChem:596423DTXCID601436383402-650-4627-077-9677-349-6924-99-2(E)-Ethyl 3-(dimethylamino)acrylate
Show more names
Moxifloxacin Impurity 107ethyl dimethylamino-acrylateCiprofloxacin Intermediate-23-Dimethylaminoacrylic acid ethyEthyl (2E)-3-(dimethylamino)-acrylateEthyl trans-3-(N,N-dimethylamino)acrylateEthyl 3-(N,N-dimethylamino)acrylate AldrichCPR
Ethyl 3-(N,N-dimethylamino)acrylateethyl (E)-3-(dimethylamino)prop-2-enoateEthyl (2E)-3-(dimethylamino)prop-2-enoateEthyl N,N-dimethylaminoacrylate2-Propenoic acid, 3-(dimethylamino)-, ethyl ester, (2E)-3-(Dimethylamino)acrylic Acid Ethyl EsterMFCD00144269ethyl (E)-3-(dimethylamino)acrylate
Database identifiers
- CAS
1117-37-9、924-99-2- PubChem CID
- 5369162
- DTXSID
DTXSID101009957- UNII
- 76TRT729W4
- EC Number
- 402-650-4、627-077-9、677-349-6
- Nikkaji
- J1.865.998K、J355.005B
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 261.28 °C · 261.28°C (rough estimate)
- Density
- 1.1095 · 1.1095 (rough estimate)
- refractive index
- 1.476 · 1.4760 (estimate)
- Flash point
- 110 ℃ · >110℃
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 5.6 · 5.60±0.70(Predicted)
- Appearance
- Light yellow to yellow Solid-Liquid Mixture
- InChI
- 1S/C7H13NO2/c1-4-10-7(9)5-6-8(2)3/h5-6H,4H2,1-3H3/b6-5+
- InChIKey
- MVUMJYQUKKUOHO-AATRIKPKSA-N
- SMILES
- CCOC(/C=C/N(C)C)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P362+P364
- Hazard Codes
- Xi
- Risk Statements
- 43 · 43
- Safety Statements
- 24 · 24-37
- WGK Germany
- 3 · 3
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 1 B · Skin Sens. 1B
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationStatus: Active Update: 11-04-2011 https://echa.europa.eu/registration-dossier/-/registered-dossier/8393
Hazard Classes and Categories
Skin Sens. 1 (100%)
Skin Sens. 1 (100%)
Skin Irrit. 2 (14.3%)
Skin sensitisation - category 1
Skin Sens. 1
Safety data
- wgk
- 3
- risk_code
- 43
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 24-37
- Storage Class
- 10 - Combustible liquids
- Hazard statements
- H317
- REACH Registrations
- Active
- Hazard Classifications
- Skin Sens. 1B
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P362+P364
Chemistry & industry
Applications
UsesEthyl 3-(N,N-dimethylamino)acrylate is an ester organic compound, which is a new important intermediate for the synthesis of levofloxacin.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Changzhou Carman Chemical Co., Ltd.15061933924
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
北京安司莫森技术有限公司010-82954736 13391601435 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Syntechem Co.,Ltd[email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
上海德默医药科技有限公司400-021-7337 2355568890 · [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]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
广东谦进化学试剂有限公司0751-2818792 13435114148 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
上海健超生物科技有限公司15021035486 18081542813 · [email protected]
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
上海洪创医药科技有限公司18151128828 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
郑州鸿晟医药科技有限公司0371-0371-13526885213 15637198702 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [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]
上海谱振生物科技有限公司4001650900 13817534909 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
河南沃咖斯生物科技有限公司18537671377 · [email protected]
四川普西奥标物科技有限公司13540909846 13882008651 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
南京择优新材料科技有限公司173-40521416 17340521416 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
武汉华翔科洁生物技术有限公司027-86638848 18627828293 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
Related reactions
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