| CAS Number | 55210-77-0 |
| Catalog Number | AG01DWHS(AGN-PC-0NI2C1) |
| Chemical Name | Butane, 1-azido-3-methyl- |
| IUPAC Name | 1-azido-3-methylbutane |
| InChI | InChI=1S/C5H11N3/c1-5(2)3-4-7-8-6/h5H,3-4H2,1-2H3 |
| InChI Key | OSYOXHTVSHZPRO-UHFFFAOYSA-N |
| MDL Number | MFCD14652213 |
| Molecular Formula | C5H11N3 |
| Molecular Weight | 113.1609 |
| SMILES | CC(CCN=[N+]=[N-])C |
| Synonyms | Isopentyl azide,
1-azido-3-methylbutane,
55210-77-0,
Butane, 1-azido-3-methyl-,
CTK1F7273,
DTXSID10480213,
ZINC38886715,
AKOS010633146,
NE37019,
F1901-3129,
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| Complexity | 91.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.164g/mol |
| Monoisotopic Mass | 113.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 14.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number