| CAS Number | 1017479-81-0 |
| Catalog Number | AG01A43S(AGN-PC-0WO2YZ) |
| Chemical Name | [1-(2,4-Dichlorophenyl)cyclobutyl]methanamine |
| IUPAC Name | [1-(2,4-dichlorophenyl)cyclobutyl]methanamine |
| InChI | InChI=1S/C11H13Cl2N/c12-8-2-3-9(10(13)6-8)11(7-14)4-1-5-11/h2-3,6H,1,4-5,7,14H2 |
| InChI Key | LBXMYRJMXLLTAH-UHFFFAOYSA-N |
| MDL Number | MFCD09904135 |
| Molecular Formula | C11H13Cl2N |
| Molecular Weight | 230.1336 |
| SMILES | ClC1=C(C=CC(Cl)=C1)C2(CCC2)CN |
| Synonyms | [1-(2,4-dichlorophenyl)cyclobutyl]methanamine,
1017479-81-0,
1-(2,4-Dichlorophenyl)cyclobutanemethanamine,
ZINC11884530,
AKOS009264261,
MCULE-3620588944,
NE24617,
SY148668,
MFCD09904135 (95%),
Z1696844505,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.132g/mol |
| Monoisotopic Mass | 229.043g/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