| CAS Number | 112663-43-1 |
| Catalog Number | AG0093N3(AGN-PC-008MOV) |
| Chemical Name | 3-((Tert-butoxycarbonyl)amino)propyl methanesulfonate |
| IUPAC Name | 3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl methanesulfonate |
| InChI | InChI=1S/C9H19NO5S/c1-9(2,3)15-8(11)10-6-5-7-14-16(4,12)13/h5-7H2,1-4H3,(H,10,11) |
| InChI Key | IWQHESBNCMOQOT-UHFFFAOYSA-N |
| MDL Number | MFCD24465552 |
| Molecular Formula | C9H19NO5S |
| Molecular Weight | 253.3159 |
| SMILES | CS(=O)(=O)OCCCNC(=O)OC(C)(C)C |
| Synonyms | 112663-43-1,
3-((Tert-butoxycarbonyl)amino)propyl methanesulfonate,
Methanesulfonic acid 3-tert-butoxycarbonylamino-propyl ester,
3-[(tert-Butoxycarbonyl)amino]propyl methanesulfonate,
SCHEMBL455207,
IWQHESBNCMOQOT-UHFFFAOYSA-N,
AKOS030621691,
ZINC113867265,
3-(tert-Butoxycarbonyl)aminopropylmethanesulfonate,
3-(tert-butoxycarbonylamino)propyl methanesulfonate,
3-(tert-butyloxycarbonylamino)propyl methanesulfonate,
tert-butyl N-[3-(methanesulfonyloxy)propyl]carbamate,
3-(tert-butoxy carbonylamino)-propyl methanesulfonate,
methanesulfonic acid 3-t-butoxycarbonylaminopropyl ester,
Methanesulfonic acid 3-(tert-butoxycarbonylamino)propyl ester,
CID11414109,
3-(tert-butoxycarbonyl)propyl methanesulfonate,
Tert-butyl N-(3-methylsulfonyloxypropyl)carbamate,
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| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.313g/mol |
| Monoisotopic Mass | 253.098g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 90.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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