| CAS Number | 1381948-24-8 |
| Catalog Number | AG00188V(AGN-PC-0GX72N) |
| Chemical Name | Benzyl (1-cyano-2-methylpropan-2-yl)carbamate |
| IUPAC Name | benzyl N-(1-cyano-2-methylpropan-2-yl)carbamate |
| InChI | InChI=1S/C13H16N2O2/c1-13(2,8-9-14)15-12(16)17-10-11-6-4-3-5-7-11/h3-7H,8,10H2,1-2H3,(H,15,16) |
| InChI Key | SNRLEYUDOZNHMI-UHFFFAOYSA-N |
| MDL Number | MFCD18252886 |
| Molecular Formula | C13H16N2O2 |
| Molecular Weight | 232.2783 |
| SMILES | N#CCC(NC(=O)OCc1ccccc1)(C)C |
| Synonyms | Benzyl (1-cyano-2-methylpropan-2-yl)carbamate,
1381948-24-8,
benzyl 1-cyano-2-methylpropan-2-ylcarbamate,
SNRLEYUDOZNHMI-UHFFFAOYSA-N,
ZINC72191312,
AKOS015924581,
FCH2797174,
AK160381,
AJ-119401,
AX8293525,
ST24046063,
W-3826,
Carbamic acid, N-(2-cyano-1,1-dimethylethyl)-, phenylmethyl ester,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.283g/mol |
| Monoisotopic Mass | 232.121g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number