| CAS Number | 1181375-76-7 |
| Catalog Number | AG01BFAE(AGN-PC-0WOQTH) |
| Chemical Name | 1-(3-Bromophenyl)pyrrolidin-3-amine |
| IUPAC Name | 1-(3-bromophenyl)pyrrolidin-3-amine |
| InChI | InChI=1S/C10H13BrN2/c11-8-2-1-3-10(6-8)13-5-4-9(12)7-13/h1-3,6,9H,4-5,7,12H2 |
| InChI Key | ZSMIAVSFNGTAEH-UHFFFAOYSA-N |
| MDL Number | MFCD16669391 |
| Molecular Formula | C10H13BrN2 |
| Molecular Weight | 241.1276 |
| SMILES | NC1CN(C2=CC(Br)=CC=C2)CC1 |
| Synonyms | 1-(3-bromophenyl)pyrrolidin-3-amine,
1181375-76-7,
AKOS010081334,
NE21149,
Z1889909940,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.132g/mol |
| Monoisotopic Mass | 240.026g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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