| CAS Number | 1094766-69-4 |
| Catalog Number | AG019SCI(AGN-PC-0WO8QZ) |
| Chemical Name | [1-(3-Bromophenyl)cyclohexyl]methanamine |
| IUPAC Name | [1-(3-bromophenyl)cyclohexyl]methanamine |
| InChI | InChI=1S/C13H18BrN/c14-12-6-4-5-11(9-12)13(10-15)7-2-1-3-8-13/h4-6,9H,1-3,7-8,10,15H2 |
| InChI Key | XXOVMSPGXGEKDA-UHFFFAOYSA-N |
| MDL Number | MFCD11642696 |
| Molecular Formula | C13H18BrN |
| Molecular Weight | 268.1927 |
| SMILES | NCC1(C2=CC(Br)=CC=C2)CCCCC1 |
| Synonyms | [1-(3-bromophenyl)cyclohexyl]methanamine,
1094766-69-4,
CYCLOHEXANEMETHANAMINE,1-(3-BROMOPHENYL)-,
SCHEMBL4742182,
ZINC36962348,
AKOS009376500,
MCULE-9608673715,
NE15232,
SC-57627,
EN300-93123,
Z1267881996,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.198g/mol |
| Monoisotopic Mass | 267.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number