Methyl 3-(Dimethylamino)Propionate 3-(二甲基氨基)丙酸甲酯

CAS 3853-06-3 MFCD00009643

化学结构图

3853-06-3
SMILES: COC(=O)CCN(C)C

化学属性

Mol. FormulaC6H13NO2
Mol. Weight131.17
Refractive indexn20/D 1.418(lit.)
Boiling Point152-154 °C(lit.)
Density0.917 g/mL at 25 °C(lit.)

别名和识别编码

Chemical NameMethyl 3-(Dimethylamino)Propionate
CAS Number3853-06-3
PubChem Substance ID199226
MDL NumberMFCD00009643
Synonym Methyl 3-(dimethylamino)propanoate {LY} Methyl 3-(dimethylamino)propanoate {} {LY} Methyl 3-(dimethylamino)propanoate {} {} {LY} Methyl 3-(dimethylamino)propanoate {} {} {} {LY} Methyl 3-(dimethylamino)propanoate {} {} {} {} {} {} {} {} {LY} Methyl 3-(dimethylamino)propanoate {} {} {} {} {} {LY} Methyl 3-(dimethylamino)propanoate {} {} {} {} {} {} {LY} Methyl 3-(dimethylamino)propanoate {} {} {} {} {} {} {} {LY} Methyl 3-(dimethylamino)propanoate {} {} {} {} {} {} {} {} {LY} Methyl 3-(dimethylamino)propanoate {} {} {} {} {} {} {} {} {} {LY} Methyl 3-(dimethylamino)propanoate {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-(dimethylamino)propanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-(dimethylamino)propanoate {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-(dimethylamino)propanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-(dimethylamino)propanoate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Methyl 3-(dimeth
Chemical Name Translation3-(二甲基氨基)丙酸甲酯
InChIKeyVSFJOMFYABROHQ-UHFFFAOYSA-N
LabNetwork Molecule IDLN01359619
InChIInChI=1S/C6H13NO2/c1-7(2)5-4-6(8)9-3/h4-5H2,1-3H3
Canonical SMILESO=C(OC)CCN(C)C
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分类

  • {uni_hamburg} no charge; ester; 1fragment
  • {SNA} Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks
  • Building Blocks, C6 to C7, Carbonyl Compounds, Chemical Synthesis, Esters, Organic Building Blocks

相关文献及参考

  • Beil. 4 ,403
  • Fieser 9 ,306
  • Aldrich MSDS 1 , 1242:C / Corp MSDS 1 (2), 2338:C / FT-IR 1 (1), 673:D / FT-IR 2 (1), 1122:D / FT-NMR 1 (1), 1070:B / NMR-Reference 2 (1), 567:D / RegBook 1 (1), 769:K / Structure Index 1 , 119:C:9 / Vapor Phase 3 , 733:B
  • Short: III/35E Title: Nuclear Magnetic Resonance (NMR) Data: Chemical Shifts for Oxygen-17 Author: Duddeck, H.; Toth, G.; Simon, A. Editor: Gupta, R.R.; Lechner, M.D. Source: Landolt-Börnstein, New Series Volume: III/35E Year: 2002 Keyword: Alipathic and Aromatic hydrocarbons; Coupling constant j; Nuclear Magnetic Resonance; chemical shifts δ ISBN: 3-540-42501-2 ISBN: 978-3-540-42501-4 Internet Resource: DOI:10.1007/b92953 RefComment: VII, 230 pages. With CD-ROM., Hardcover Abstract: This volume provides a comprehensive and evaluated compilation of nuclear magnetic resonance data. Chemical shifts and coupling constants of boron-11 and phosphorus-31 (subvol. A), fluorine-19 and nitrogen-15 (subvol. B), hydrogen-1 (subvol. C), carbon-13 (subvol. D), and oxygen-17 (subvol. E) compounds are tabulated together with the gross- and structure formulas and the most readily available solvents. Due to the large amount of the data merely chemical shifts are presented in the printed versions, and all the data, chemical shifts and coupling constants are provided on CD-ROM's.

安全信息

GHS Symbol
WGK Germany3
Hazard Codes Xi
Hazard statements
  • H226 Flammable liquid and vapour 易燃液体和蒸气
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
RTECSAY5992870
Precautionary statements
  • P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking. 远离热源/火花/明火/热的表面。——禁止吸烟。
  • P233 Keep container tightly closed. ?保持容器密闭。
  • P240 Ground/bond container and receiving equipment. 与地面接触/连接集装箱和接受设备。
  • P241 Use explosion-proof electrical/ventilating/lighting/…/equipment. 使用防爆电气/通风/照明/ .../设备。
  • P242 Use only non-sparking tools. 只能使用无火花工具。
  • P243 Take precautionary measures against static discharge. 采取预防措施，防止静电放电。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P302+P352
  • P303+P361+P353
  • P304+P340
  • P305+P351+P338
  • P312 Call a POISON CENTER or doctor/physician if you feel unwell. 如果你感觉不适，呼叫解毒中心或医生/医师。
  • P321 Specific treatment (see … on this label). 具体治疗（见本标签上的）。
  • P332+P313
  • P337+P313
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
  • P370+P378
  • P403+P233
  • P403+P235
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Warning
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S16 Keep away from sources of ignition - No smoking 远离火源，禁止吸烟；
Risk Statements
  • R10 Flammable 易燃
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : >50 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BJPCBM British Journal of Pharmacology.  (Macmillan Press Ltd., Houndmills,
   Basingstoke, Hants. RG21 2XS, UK)  V.34-    1968-  Volume(issue)/page/year:
   34,345,1968

Storage condition

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Carbonyl Compounds 羰基化合物
  5. Esters - Carbonyl Compounds
  6. C6 to C7 - Esters

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