Methyl 3-aminoacrylate, mixture of E and Z isomers - CAS 124703-69-1
Catalog: |
BB005977 |
Product Name: |
Methyl 3-aminoacrylate, mixture of E and Z isomers |
CAS: |
124703-69-1 |
Synonyms: |
methyl (E)-3-aminoprop-2-enoate |
IUPAC Name: | methyl (E)-3-aminoprop-2-enoate |
Description: | Methyl 3-aminoacrylate, mixture of E and Z isomers (CAS# 124703-69-1 ) is a useful research chemical. |
Molecular Weight: | 101.10 |
Molecular Formula: | C4H7NO2 |
Canonical SMILES: | COC(=O)C=CN |
InChI: | InChI=1S/C4H7NO2/c1-7-4(6)2-3-5/h2-3H,5H2,1H3/b3-2+ |
InChI Key: | YHNZLOOOVQYYCP-NSCUHMNNSA-N |
Boiling Point: | 177.806 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.06 g/cm3 |
LogP: | 0.33210 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-104136979-A | Liquid crystal aligning agent, liquid crystal alignment membrane, liquid crystal display element, and method for manufacturing liquid crystal display element | 20111228 |
JP-6172463-B2 | Liquid crystal aligning agent, liquid crystal alignment film, liquid crystal display element, and method for manufacturing liquid crystal display element | 20111228 |
Complexity: | 87.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 101.047678466 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 101.047678466 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.2 |
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