| CAS Number | 157877-79-7 |
| Catalog Number | AG001PRM(AGN-PC-07Y50E) |
| Chemical Name | Benzenemethanol, 4-amino-3,5-dichloro-α-[[(4-hydroxycyclohexyl)amino]methyl]- |
| IUPAC Name | 4-[[2-(4-amino-3,5-dichlorophenyl)-2-hydroxyethyl]amino]cyclohexan-1-ol |
| InChI | InChI=1S/C14H20Cl2N2O2/c15-11-5-8(6-12(16)14(11)17)13(20)7-18-9-1-3-10(19)4-2-9/h5-6,9-10,13,18-20H,1-4,7,17H2 |
| InChI Key | DKFLKXDTRUWFDL-UHFFFAOYSA-N |
| MDL Number | MFCD18382235 |
| Molecular Formula | C14H20Cl2N2O2 |
| Molecular Weight | 319.2268 |
| SMILES | OC1CCC(NCC(O)C2=CC(Cl)=C(N)C(Cl)=C2)CC1 |
| Synonyms | Clencyclohexerol,
157877-79-7,
CTK8F0827,
AKOS030255931,
ACM157877797,
RT-012065,
FT-0665084,
J-009458,
Benzenemethanol, 4-amino-3,5-dichloro-alpha-[[(4-hydroxycyclohexyl)amino]methyl]-,
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| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 319.226g/mol |
| Monoisotopic Mass | 318.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number