| CAS Number | 1390654-77-9 |
| Catalog Number | AG00HVCU(AGN-PC-0WB78S) |
| Chemical Name | Pyrrolidine, 3-(bromomethyl)-1-methyl-, hydrobromide (1:1) |
| IUPAC Name | 3-(bromomethyl)-1-methylpyrrolidine;hydrobromide |
| InChI | InChI=1S/C6H12BrN.BrH/c1-8-3-2-6(4-7)5-8;/h6H,2-5H2,1H3;1H |
| InChI Key | SEHFPDOVQYNJDB-UHFFFAOYSA-N |
| MDL Number | MFCD20441434 |
| Molecular Formula | C6H13Br2N |
| Molecular Weight | 258.9821 |
| SMILES | CN1CCC(C1)CBr.Br |
| Synonyms | 3-(Bromomethyl)-1-methylpyrrolidine hydrobromide,
1390654-77-9,
4110AD,
MFCD20441434,
AKOS026728403,
T5096,
3-Bromomethyl-1-methyl-pyrrolidine hydrobromide,
3-(Bromomethyl)-1-methylpyrrolidine hydrobromide, AldrichCPR,
C6H13Br2N,
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| Complexity | 74.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.939g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.985g/mol |
| Monoisotopic Mass | 256.941g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number