| CAS Number | 380828-77-3 |
| Catalog Number | AG003K30(AGN-PC-088E8U) |
| Chemical Name | 4-(4-chlorophenoxy)cyclohexan-1-amine hydrochloride |
| IUPAC Name | 4-(4-chlorophenoxy)cyclohexan-1-amine;hydrochloride |
| InChI | InChI=1S/C12H16ClNO.ClH/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;/h1-2,5-6,10,12H,3-4,7-8,14H2;1H |
| InChI Key | UCHKIOSHQXHFTR-UHFFFAOYSA-N |
| MDL Number | MFCD09026737 |
| Molecular Formula | C12H17Cl2NO |
| Molecular Weight | 262.1755 |
| SMILES | NC1CCC(OC2=CC=C(Cl)C=C2)CC1.[H]Cl |
| Synonyms | 380828-77-3,
4-(4-Chlorophenoxy)cyclohexanamine hydrochloride,
4-(4-CHLORO-PHENOXY)-CYCLOHEXYLAMINE HYDROCHLORIDE,
4-(4-Chloro-phenoxy)-cyclohexylamine(1HClsalt),
A1-01969,
KS-000000JP,
AKOS024257148,
ACM380828773,
TX-010810,
4-(3-Chloro-phenoxy)-cyclohexylamine 1HCl salt,
4-(4-chlorophenoxy)cyclohexylamine hydrochloride,
4-(4-CHLORO-PHENOXY)-CYCLOHEXYLAMINE1HCLSALT,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 262.174g/mol |
| Monoisotopic Mass | 261.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number