| CAS Number | 16297-97-5 |
| Catalog Number | AG01BTJL |
| Chemical Name | 4-(3-Methyl-3H-diazirin-3-yl)butanoic acid |
| IUPAC Name | 4-(3-methyldiazirin-3-yl)butanoic acid |
| InChI | InChI=1S/C6H10N2O2/c1-6(7-8-6)4-2-3-5(9)10/h2-4H2,1H3,(H,9,10) |
| InChI Key | GTNAKSVTKFGFQV-UHFFFAOYSA-N |
| MDL Number | MFCD19228938 |
| Molecular Formula | C6H10N2O2 |
| Molecular Weight | 142.1558 |
| SMILES | CC1(N=N1)CCCC(O)=O |
| Synonyms | 16297-97-5,
4-(3-methyl-3H-diazirin-3-yl)butanoic acid,
4-(3-methyl-3H-diazirin-3-yl)-butyric acid,
SCHEMBL17791490,
AKOS006379801,
ZINC104705090,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.158g/mol |
| Monoisotopic Mass | 142.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 62A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number