| CAS Number | 91130-46-0 |
| Catalog Number | AG00GYFT(AGN-PC-00OJQ0) |
| Chemical Name | 1-(2-Bromobenzyl)pyrrolidine |
| IUPAC Name | 1-[(2-bromophenyl)methyl]pyrrolidine |
| InChI | InChI=1S/C11H14BrN/c12-11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2 |
| InChI Key | HDIGDQKZWCNWPI-UHFFFAOYSA-N |
| MDL Number | MFCD07775746 |
| Molecular Formula | C11H14BrN |
| Molecular Weight | 240.1396 |
| SMILES | BrC1C=CC=CC=1CN1CCCC1 |
| Synonyms | 1-(2-bromobenzyl)pyrrolidine,
91130-46-0,
1-(2-Bromobenzyl)-pyrrolidine,
SCHEMBL7447200,
ALBB-015200,
MFCD07775746,
ZINC22863062,
1-[(2-bromophenyl)methyl]pyrrolidine,
AKOS005175001,
AM87413,
1-bromo-2-(pyrrolidin-1-ylmethyl)benzene,
Pyrrolidine, 1-[(2-bromophenyl)methyl]-,
CS-0046950,
Z1073,
Q-7054,
C11H14BrN,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.144g/mol |
| Monoisotopic Mass | 239.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 3.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number