| CAS Number | 1368428-66-3 |
| Catalog Number | AG01DYPC |
| Chemical Name | {1-[(3-bromophenyl)methyl]cyclopropyl}methanamine |
| IUPAC Name | [1-[(3-bromophenyl)methyl]cyclopropyl]methanamine |
| InChI | InChI=1S/C11H14BrN/c12-10-3-1-2-9(6-10)7-11(8-13)4-5-11/h1-3,6H,4-5,7-8,13H2 |
| InChI Key | QIYJRJGJOCQQAQ-UHFFFAOYSA-N |
| MDL Number | MFCD21669852 |
| Molecular Formula | C11H14BrN |
| Molecular Weight | 240.1396 |
| SMILES | NCC1(CC1)CC1=CC(Br)=CC=C1 |
| Synonyms | {1-[(3-bromophenyl)methyl]cyclopropyl}methanamine,
(1-[(3-BROMOPHENYL)METHYL]CYCLOPROPYL)METHANAMINE,
AKOS015369239,
1368428-66-3,
|
| Complexity | 177 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.144g/mol |
| Monoisotopic Mass | 239.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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