| CAS Number | 312728-28-2 |
| Catalog Number | AG00BX70(AGN-PC-01Z0LG) |
| Chemical Name | Tert-Butyl but-3-en-1-yl(methyl)carbamate |
| IUPAC Name | tert-butyl N-but-3-enyl-N-methylcarbamate |
| InChI | InChI=1S/C10H19NO2/c1-6-7-8-11(5)9(12)13-10(2,3)4/h6H,1,7-8H2,2-5H3 |
| InChI Key | MZYNQTOPYXEUDX-UHFFFAOYSA-N |
| MDL Number | MFCD21648472 |
| Molecular Formula | C10H19NO2 |
| Molecular Weight | 185.2634 |
| SMILES | O=C(OC(C)(C)C)N(CCC=C)C |
| Synonyms | tert-Butyl but-3-en-1-yl(methyl)carbamate,
312728-28-2,
N-methyl-N-(tert-butoxycarbonyl)-3-buten-1-amine,
SCHEMBL361154,
MZYNQTOPYXEUDX-UHFFFAOYSA-N,
ZINC59682437,
tert-butyl but-3-enyl(methyl)carbamate,
DA-17752,
FT-0746700,
Methyl(3-butenyl)carbamic acid tert-butyl ester,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.142g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.267g/mol |
| Monoisotopic Mass | 185.142g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number