| CAS Number | 228699-96-5 |
| Catalog Number | AG00J2WV(AGN-PC-0ND1AR) |
| Chemical Name | 1-Amino-4-penten-2-ol |
| IUPAC Name | 1-aminopent-4-en-2-ol |
| InChI | InChI=1S/C5H11NO/c1-2-3-5(7)4-6/h2,5,7H,1,3-4,6H2 |
| InChI Key | WUCHYGSGPTWIRP-UHFFFAOYSA-N |
| MDL Number | MFCD19207431 |
| Molecular Formula | C5H11NO |
| Molecular Weight | 101.1469 |
| SMILES | C(CC(CN)O)=C |
| Synonyms | 1-amino-4-penten-2-ol,
228699-96-5,
1-aminopent-4-en-2-ol,
1-aminopent-4-ene-2-ol,
allylethanolamine,
1-Amino-4-pentene-2-ol,
SCHEMBL170698,
MFCD19207431,
AKOS006363519,
A-7136,
CID10931378,
|
| Complexity | 54 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 101.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 101.149g/mol |
| Monoisotopic Mass | 101.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number