| CAS Number | 1389442-00-5 |
| Catalog Number | AG01A43E(AGN-PC-0WOB84) |
| Chemical Name | 4,4-Difluoro-1-methylcyclohexan-1-amine |
| IUPAC Name | 4,4-difluoro-1-methylcyclohexan-1-amine |
| InChI | InChI=1S/C7H13F2N/c1-6(10)2-4-7(8,9)5-3-6/h2-5,10H2,1H3 |
| InChI Key | HMMITIYMFHIYBL-UHFFFAOYSA-N |
| MDL Number | MFCD22548294 |
| Molecular Formula | C7H13F2N |
| Molecular Weight | 149.1816 |
| SMILES | CC1(CCC(F)(F)CC1)N |
| Synonyms | 4,4-difluoro-1-methylcyclohexan-1-amine,
1389442-00-5,
SCHEMBL15472916,
ZINC83351194,
AKOS024195644,
AB85511,
4,4-DIFLUORO-1-METHYLCYCLOHEXANAMINE,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.185g/mol |
| Monoisotopic Mass | 149.102g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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