| CAS Number | 676135-77-6 |
| Catalog Number | AG019SFF(AGN-PC-06KQU9) |
| Chemical Name | 1-(3-bromophenyl)cyclohexan-1-amine |
| IUPAC Name | 1-(3-bromophenyl)cyclohexan-1-amine |
| InChI | InChI=1S/C12H16BrN/c13-11-6-4-5-10(9-11)12(14)7-2-1-3-8-12/h4-6,9H,1-3,7-8,14H2 |
| InChI Key | GXIJPEOUTSNTTJ-UHFFFAOYSA-N |
| MDL Number | MFCD11642709 |
| Molecular Formula | C12H16BrN |
| Molecular Weight | 254.1661 |
| SMILES | NC1(C2=CC(Br)=CC=C2)CCCCC1 |
| Synonyms | 1-(3-bromophenyl)cyclohexan-1-amine,
676135-77-6,
1-(3-Bromophenyl)cyclohexanamine,
Cyclohexanamine, 1-(3-bromophenyl)-,
SCHEMBL3172000,
MFCD11642709,
ZINC37382639,
AKOS009377233,
MCULE-1044549965,
NE17813,
AS-43536,
EN300-93393,
Z1268153224,
|
| 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 | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number