| CAS Number | 172846-33-2 |
| Catalog Number | AG00AW6P(AGN-PC-0N7LZ1) |
| Chemical Name | Bis(1,1-dimethylethyl)(3-bromopropyl) imidodicarbonate |
| IUPAC Name | tert-butyl N-(3-bromopropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate |
| InChI | InChI=1S/C13H24BrNO4/c1-12(2,3)18-10(16)15(9-7-8-14)11(17)19-13(4,5)6/h7-9H2,1-6H3 |
| InChI Key | SPEFPQDDFBRHTN-UHFFFAOYSA-N |
| MDL Number | MFCD09953022 |
| Molecular Formula | C13H24BrNO4 |
| Molecular Weight | 338.2380 |
| SMILES | BrCCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C |
| Synonyms | 172846-33-2,
BIS(1,1-DIMETHYLETHYL)(3-BROMOPROPYL) IMIDODICARBONATE,
Di(tert-butyl) 3-bromopropylimidodicarbonate,
Di-tert-butyl (3-bromopropyl)-2-imidodicarbonate,
SCHEMBL3882477,
DTXSID30442590,
AB3113,
MFCD09953022,
ZINC39092792,
AKOS030524900,
AS-44686,
Bis(1,1-dimethylethyl)(3-bromopropyl) imidodicarbonate, 955,
CID10616954,
Tert-butyl N-(3-bromopropyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.089g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.242g/mol |
| Monoisotopic Mass | 337.089g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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