| CAS Number | 1098349-33-7 |
| Catalog Number | AG01A1E4(AGN-PC-0WO85V) |
| Chemical Name | [1-(3-Bromophenyl)cyclopentyl]methanamine |
| IUPAC Name | [1-(3-bromophenyl)cyclopentyl]methanamine |
| InChI | InChI=1S/C12H16BrN/c13-11-5-3-4-10(8-11)12(9-14)6-1-2-7-12/h3-5,8H,1-2,6-7,9,14H2 |
| InChI Key | GXLWFGBRTAIIKZ-UHFFFAOYSA-N |
| MDL Number | MFCD11642692 |
| Molecular Formula | C12H16BrN |
| Molecular Weight | 254.1661 |
| SMILES | BrC=1C=C(C=CC1)C1(CCCC1)CN |
| Synonyms | [1-(3-bromophenyl)cyclopentyl]methanamine,
1098349-33-7,
1-(3-bromophenyl)Cyclopentanemethanamine,
SCHEMBL4780476,
ZINC33487087,
AKOS009376308,
MCULE-6044431928,
NE25010,
SY141408,
DB-059941,
FT-0716855,
MFCD11642692 (95%),
Z1465411148,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.171g/mol |
| Monoisotopic Mass | 253.047g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number