| CAS Number | 1860947-01-8 |
| Catalog Number | AG00ASAX(AGN-PC-0WR44R) |
| Chemical Name | (S)-2-(4-Bromophenyl)pyrrolidine hydrochloride |
| IUPAC Name | (2S)-2-(4-bromophenyl)pyrrolidine;hydrochloride |
| InChI | InChI=1S/C10H12BrN.ClH/c11-9-5-3-8(4-6-9)10-2-1-7-12-10;/h3-6,10,12H,1-2,7H2;1H/t10-;/m0./s1 |
| InChI Key | MFKFCHQDGBJUIU-PPHPATTJSA-N |
| MDL Number | MFCD12910618 |
| Molecular Formula | C10H13BrClN |
| Molecular Weight | 262.5739 |
| SMILES | BrC1=CC=C([C@H]2NCCC2)C=C1.[H]Cl |
| Synonyms | 1860947-01-8,
(S)-2-(4-Bromophenyl)pyrrolidine hydrochloride,
(2S)-2-(4-bromophenyl)pyrrolidine hcl,
SCHEMBL17437260,
KS-00000TUK,
MFKFCHQDGBJUIU-PPHPATTJSA-N,
MFCD12910618,
GS-7120,
KS-000026D4,
W-3945,
(2S)-2-(4-bromophenyl)pyrrolidine hydrochloride,
(2S)-2-(4-bromophenyl)pyrrolidine,
1189152-82-6,
|
| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.575g/mol |
| Monoisotopic Mass | 260.992g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number