| CAS Number | 28636-16-0 |
| Catalog Number | AG002VXC(AGN-PC-0O8LAD) |
| Chemical Name | 2-Propenal, 3-amino-, (2E)- (9CI) |
| IUPAC Name | (E)-3-aminoprop-2-enal |
| InChI | InChI=1S/C3H5NO/c4-2-1-3-5/h1-3H,4H2/b2-1+ |
| InChI Key | UCRYVFBKCBUURB-OWOJBTEDSA-N |
| MDL Number | MFCD19227942 |
| Molecular Formula | C3H5NO |
| Molecular Weight | 71.0779 |
| SMILES | O=C/C=C/N |
| Synonyms | (E)-3-Aminoacrylaldehyde,
3-aminopropenal,
3-Aminoacrolein,
28636-16-0,
beta-aminoacrolein,
(E)-3-Aminoacrolein,
(z)-3-imino-1-propen-1-ol,
ZINC39369735,
AKOS006377810,
25186-34-9,
|
| Complexity | 48.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 71.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 5 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 71.079g/mol |
| Monoisotopic Mass | 71.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number