| CAS Number | 1708157-79-2 |
| Catalog Number | AG00HZHR(AGN-PC-0WNH6M) |
| Chemical Name | (4,4-difluoro-1-methylcyclohexyl)methanamine |
| IUPAC Name | (4,4-difluoro-1-methylcyclohexyl)methanamine |
| InChI | InChI=1S/C8H15F2N/c1-7(6-11)2-4-8(9,10)5-3-7/h2-6,11H2,1H3 |
| InChI Key | OWONXEKZPVRDKW-UHFFFAOYSA-N |
| MDL Number | MFCD28502757 |
| Molecular Formula | C8H15F2N |
| Molecular Weight | 163.2082 |
| SMILES | NCC1(C)CCC(CC1)(F)F |
| Synonyms | (4,4-Difluoro-1-methylcyclohexyl)methanamine,
1708157-79-2,
MFCD28502757,
ZINC98213724,
KS-000008N3,
AS-52446,
CS-0053217,
4,4-Difluoro-1-methylcyclohexan-1-methanamine,
na,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.212g/mol |
| Monoisotopic Mass | 163.117g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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