| CAS Number | 1178611-68-1 |
| Catalog Number | AG01A9A5(AGN-PC-0WO8RB) |
| Chemical Name | 1-[(4-Bromophenyl)methyl]cyclohexan-1-amine |
| IUPAC Name | 1-[(4-bromophenyl)methyl]cyclohexan-1-amine |
| InChI | InChI=1S/C13H18BrN/c14-12-6-4-11(5-7-12)10-13(15)8-2-1-3-9-13/h4-7H,1-3,8-10,15H2 |
| InChI Key | NRHDLICZUZLWMI-UHFFFAOYSA-N |
| MDL Number | MFCD12153115 |
| Molecular Formula | C13H18BrN |
| Molecular Weight | 268.1927 |
| SMILES | NC1(CCCCC1)CC1=CC=C(Br)C=C1 |
| Synonyms | 1-[(4-bromophenyl)methyl]cyclohexan-1-amine,
1178611-68-1,
AC1Q50FW,
SCHEMBL12813767,
ZINC37463452,
AKOS010016251,
MCULE-6876147841,
NE21265,
EN300-64562,
Z1262327487,
|
| Complexity | 191 |
| 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 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number