| CAS Number | 802841-82-3 |
| Catalog Number | AG00ID42(AGN-PC-0WG45I) |
| Chemical Name | 4-Bromo-2-(Pyrrolidin-1-Yl)Aniline |
| IUPAC Name | 4-bromo-2-pyrrolidin-1-ylaniline |
| InChI | InChI=1S/C10H13BrN2/c11-8-3-4-9(12)10(7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2 |
| InChI Key | SZPVJRQTPASIJP-UHFFFAOYSA-N |
| MDL Number | MFCD21193897 |
| Molecular Formula | C10H13BrN2 |
| Molecular Weight | 241.1276 |
| SMILES | Nc1ccc(cc1N1CCCC1)Br |
| Synonyms | 4-BROMO-2-(PYRROLIDIN-1-YL)ANILINE,
802841-82-3,
KM3603,
MFCD21193897,
ZINC83730511,
AKOS014677159,
CS-0037396,
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| Complexity | 168 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number