| CAS Number | 1638744-12-3 |
| Catalog Number | AG001UGP(AGN-PC-0WNGUX) |
| Chemical Name | Cyclohexanamine, 2,2-difluoro-, hydrochloride (1:1), (1S)- |
| IUPAC Name | (1S)-2,2-difluorocyclohexan-1-amine;hydrochloride |
| InChI | InChI=1S/C6H11F2N.ClH/c7-6(8)4-2-1-3-5(6)9;/h5H,1-4,9H2;1H/t5-;/m0./s1 |
| InChI Key | INIHWKPDAPMHQD-JEDNCBNOSA-N |
| MDL Number | MFCD28502321 |
| Molecular Formula | C6H12ClF2N |
| Molecular Weight | 171.6160 |
| SMILES | Cl.N[C@H]1CCCCC1(F)F |
| Synonyms | 1638744-12-3,
(1S)-2,2-difluorocyclohexan-1-amine hydrochloride,
(1S)-2,2-Difluorocyclohexan-1-amine HCl,
MFCD28502321,
SB17599,
KS-0000065Q,
AS-52841,
CS-0053587,
Cyclohexanamine, 2,2-difluoro-, hydrochloride (1:1), (1S)-,
(1R)-2,2-difluorocyclohexan-1-amine hydrochloride,
1638744-85-0,
|
| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.616g/mol |
| Monoisotopic Mass | 171.063g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number